 Entering Gaussian System, Link 0=g16
 Input=10_L-serine_conformer04_STD_M11_augccpVDZ.in
 Output=10_L-serine_conformer04_STD_M11_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/Gau-19649.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     19650.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=10_L-serine_conformer04_STD_M11_augccpVDZ
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 20:51:37 2021, MaxMem=  5368709120 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "10_L-serine_conformer04_STD_M11_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.251931000000     -0.663665000000      0.331107000000
  C                                                 0.190209000000      0.204684000000     -0.343882000000
  C                                                -1.219712000000     -0.345036000000     -0.068508000000
  O                                                -2.135841000000      0.604858000000      0.141712000000
  O                                                 2.566231000000     -0.222950000000      0.011296000000
  N                                                 0.254758000000      1.625934000000      0.010270000000
  O                                                -1.475770000000     -1.518722000000     -0.066506000000
  H                                                 0.319391000000      0.128518000000     -1.428362000000
  H                                                 1.154507000000     -0.574017000000      1.416069000000
  H                                                 1.091659000000     -1.710334000000      0.069937000000
  H                                                -1.642859000000      1.455867000000      0.091840000000
  H                                                 0.567016000000      1.739291000000      0.969467000000
  H                                                 0.922994000000      2.115293000000     -0.569730000000
  H                                                 2.832457000000     -0.617545000000     -0.825436000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     14 NQM=       14 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          16          16          14          16           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  15.9949146  14.0030740  15.9949146   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           2           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   5.6000000   4.5500000   5.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   8.0000000   7.0000000   8.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 20:51:38 2021, MaxMem=  5368709120 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.251931   -0.663665    0.331107
      2          6           0        0.190209    0.204684   -0.343882
      3          6           0       -1.219712   -0.345036   -0.068508
      4          8           0       -2.135841    0.604858    0.141712
      5          8           0        2.566231   -0.222950    0.011296
      6          7           0        0.254758    1.625934    0.010270
      7          8           0       -1.475770   -1.518722   -0.066506
      8          1           0        0.319391    0.128518   -1.428362
      9          1           0        1.154507   -0.574017    1.416069
     10          1           0        1.091659   -1.710334    0.069937
     11          1           0       -1.642859    1.455867    0.091840
     12          1           0        0.567016    1.739291    0.969467
     13          1           0        0.922994    2.115293   -0.569730
     14          1           0        2.832457   -0.617545   -0.825436
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.528690   0.000000
     3  C    2.523933   1.538148   0.000000
     4  O    3.622433   2.409658   1.336332   0.000000
     5  O    1.422636   2.440185   3.788752   4.776165   0.000000
     6  N    2.517847   1.466132   2.462720   2.602852   2.959946
     7  O    2.886100   2.412996   1.201295   2.233526   4.245333
     8  H    2.143109   1.094800   2.107675   2.952998   2.691549
     9  H    1.093010   2.152597   2.809505   3.720231   2.022276
    10  H    1.090602   2.156653   2.688055   3.972659   2.095260
    11  H    3.595758   2.261736   1.856884   0.984751   4.532257
    12  H    2.578916   2.054723   2.934997   3.045908   2.960632
    13  H    2.939781   2.058739   3.300853   3.484829   2.916367
    14  H    1.959026   2.808813   4.131256   5.207075   0.962654
                    6          7          8          9         10
     6  N    0.000000
     7  O    3.590193   0.000000
     8  H    2.077521   2.791174   0.000000
     9  H    2.761450   3.163677   3.046598   0.000000
    10  H    3.440152   2.578182   2.494529   1.762736   0.000000
    11  H    1.906968   2.983483   2.814835   3.701252   4.183646
    12  H    1.015093   3.982570   2.899223   2.428167   3.603376
    13  H    1.011144   4.383306   2.246967   3.351027   3.882402
    14  H    3.517973   4.466421   2.689913   2.800313   2.241932
                   11         12         13         14
    11  H    0.000000
    12  H    2.394599   0.000000
    13  H    2.730590   1.623954   0.000000
    14  H    5.016860   3.729420   3.343626   0.000000
 Stoichiometry    C3H7NO3
 Framework group  C1[X(C3H7NO3)]
 Deg. of freedom    36
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.76D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.251931   -0.663665    0.331107
      2          6           0        0.190209    0.204684   -0.343882
      3          6           0       -1.219712   -0.345036   -0.068508
      4          8           0       -2.135841    0.604859    0.141712
      5          8           0        2.566231   -0.222951    0.011296
      6          7           0        0.254758    1.625934    0.010270
      7          8           0       -1.475770   -1.518722   -0.066506
      8          1           0        0.319391    0.128518   -1.428362
      9          1           0        1.154507   -0.574017    1.416069
     10          1           0        1.091659   -1.710334    0.069937
     11          1           0       -1.642859    1.455867    0.091840
     12          1           0        0.567016    1.739291    0.969467
     13          1           0        0.922995    2.115293   -0.569730
     14          1           0        2.832457   -0.617546   -0.825436
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           4.5840691           1.8388701           1.3785007
 Leave Link  202 at Thu Aug 12 20:51:38 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     11     12     13     14
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       6
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4      5      7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  21 primitive shells out of 252 were deleted.
 There are   238 symmetry adapted cartesian basis functions of A   symmetry.
 There are   224 symmetry adapted basis functions of A   symmetry.
   224 basis functions,   413 primitive gaussians,   238 cartesian basis functions
    28 alpha electrons       28 beta electrons
       nuclear repulsion energy       321.8548095216 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   14 NActive=   14 NUniq=   14 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Aug 12 20:51:41 2021, MaxMem=  5368709120 cpu:              17.0 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   224 RedAO= T EigKep=  2.20D-05  NBF=   224
 NBsUse=   224 1.00D-06 EigRej= -1.00D+00 NBFU=   224
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   238   238   238   238   238 MxSgAt=    14 MxSgA2=    14.
 Leave Link  302 at Thu Aug 12 20:51:41 2021, MaxMem=  5368709120 cpu:               2.9 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 20:51:41 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "10_L-serine_conformer04_STD_M11_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 20:51:42 2021, MaxMem=  5368709120 cpu:               2.1 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368591572 LenY=  5368534487
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -398.839173343953    
 DIIS: error= 3.13D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -398.839173343953     IErMin= 1 ErrMin= 3.13D-03
 ErrMax= 3.13D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.30D-02 BMatP= 1.30D-02
 IDIUse=3 WtCom= 9.69D-01 WtEn= 3.13D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.442 Goal=   None    Shift=    0.000
 GapD=    0.442 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=8.80D-03 MaxDP=3.42D-01              OVMax= 1.83D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  8.70D-03    CP:  9.50D-01
 E= -398.851244592053     Delta-E=       -0.012071248100 Rises=F Damp=F
 DIIS: error= 9.63D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -398.851244592053     IErMin= 2 ErrMin= 9.63D-04
 ErrMax= 9.63D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.84D-04 BMatP= 1.30D-02
 IDIUse=3 WtCom= 9.90D-01 WtEn= 9.63D-03
 Coeff-Com:  0.187D-01 0.981D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.186D-01 0.981D+00
 Gap=     0.360 Goal=   None    Shift=    0.000
 RMSDP=1.47D-03 MaxDP=6.51D-02 DE=-1.21D-02 OVMax= 7.39D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  9.26D-04    CP:  9.47D-01  1.13D+00
 E= -398.851631912469     Delta-E=       -0.000387320415 Rises=F Damp=F
 DIIS: error= 1.01D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -398.851631912469     IErMin= 2 ErrMin= 9.63D-04
 ErrMax= 1.01D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.13D-04 BMatP= 7.84D-04
 IDIUse=3 WtCom= 9.90D-01 WtEn= 1.01D-02
 Coeff-Com: -0.552D-01 0.506D+00 0.549D+00
 Coeff-En:   0.000D+00 0.249D+00 0.751D+00
 Coeff:     -0.547D-01 0.503D+00 0.551D+00
 Gap=     0.356 Goal=   None    Shift=    0.000
 RMSDP=3.03D-04 MaxDP=1.43D-02 DE=-3.87D-04 OVMax= 4.10D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.94D-04    CP:  9.45D-01  1.15D+00  1.13D+00
 E= -398.852105388517     Delta-E=       -0.000473476048 Rises=F Damp=F
 DIIS: error= 1.25D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -398.852105388517     IErMin= 4 ErrMin= 1.25D-04
 ErrMax= 1.25D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.26D-05 BMatP= 7.13D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.25D-03
 Coeff-Com: -0.104D-01 0.256D-01 0.969D-01 0.888D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.104D-01 0.256D-01 0.968D-01 0.888D+00
 Gap=     0.355 Goal=   None    Shift=    0.000
 RMSDP=1.36D-04 MaxDP=6.04D-03 DE=-4.73D-04 OVMax= 1.23D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  7.93D-05    CP:  9.44D-01  1.16D+00  1.24D+00  1.15D+00
 E= -398.852120220385     Delta-E=       -0.000014831868 Rises=F Damp=F
 DIIS: error= 6.72D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -398.852120220385     IErMin= 5 ErrMin= 6.72D-05
 ErrMax= 6.72D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.53D-06 BMatP= 1.26D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.370D-02-0.627D-01-0.439D-01 0.402D+00 0.701D+00
 Coeff:      0.370D-02-0.627D-01-0.439D-01 0.402D+00 0.701D+00
 Gap=     0.355 Goal=   None    Shift=    0.000
 RMSDP=4.52D-05 MaxDP=1.65D-03 DE=-1.48D-05 OVMax= 6.64D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.25D-05    CP:  9.44D-01  1.16D+00  1.26D+00  1.23D+00  1.18D+00
 E= -398.852124437199     Delta-E=       -0.000004216814 Rises=F Damp=F
 DIIS: error= 2.34D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -398.852124437199     IErMin= 6 ErrMin= 2.34D-05
 ErrMax= 2.34D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.50D-07 BMatP= 4.53D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.294D-02-0.319D-01-0.327D-01 0.906D-01 0.321D+00 0.650D+00
 Coeff:      0.294D-02-0.319D-01-0.327D-01 0.906D-01 0.321D+00 0.650D+00
 Gap=     0.356 Goal=   None    Shift=    0.000
 RMSDP=1.02D-05 MaxDP=3.64D-04 DE=-4.22D-06 OVMax= 1.98D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.54D-06    CP:  9.44D-01  1.16D+00  1.27D+00  1.24D+00  1.24D+00
                    CP:  1.18D+00
 E= -398.852124952149     Delta-E=       -0.000000514950 Rises=F Damp=F
 DIIS: error= 4.68D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -398.852124952149     IErMin= 7 ErrMin= 4.68D-06
 ErrMax= 4.68D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.76D-08 BMatP= 5.50D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.333D-04 0.300D-02 0.283D-04-0.422D-01-0.421D-01 0.124D+00
 Coeff-Com:  0.957D+00
 Coeff:      0.333D-04 0.300D-02 0.283D-04-0.422D-01-0.421D-01 0.124D+00
 Coeff:      0.957D+00
 Gap=     0.355 Goal=   None    Shift=    0.000
 RMSDP=6.27D-06 MaxDP=2.99D-04 DE=-5.15D-07 OVMax= 9.48D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.31D-06    CP:  9.44D-01  1.16D+00  1.27D+00  1.24D+00  1.29D+00
                    CP:  1.30D+00  1.25D+00
 E= -398.852125006104     Delta-E=       -0.000000053955 Rises=F Damp=F
 DIIS: error= 2.42D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -398.852125006104     IErMin= 8 ErrMin= 2.42D-06
 ErrMax= 2.42D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.99D-09 BMatP= 2.76D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.190D-03 0.270D-02 0.240D-02-0.142D-01-0.292D-01-0.250D-01
 Coeff-Com:  0.170D+00 0.894D+00
 Coeff:     -0.190D-03 0.270D-02 0.240D-02-0.142D-01-0.292D-01-0.250D-01
 Coeff:      0.170D+00 0.894D+00
 Gap=     0.356 Goal=   None    Shift=    0.000
 RMSDP=1.69D-06 MaxDP=8.04D-05 DE=-5.40D-08 OVMax= 2.72D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  6.67D-07    CP:  9.44D-01  1.16D+00  1.27D+00  1.24D+00  1.29D+00
                    CP:  1.33D+00  1.35D+00  1.29D+00
 E= -398.852125009850     Delta-E=       -0.000000003746 Rises=F Damp=F
 DIIS: error= 9.06D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -398.852125009850     IErMin= 9 ErrMin= 9.06D-07
 ErrMax= 9.06D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.04D-10 BMatP= 1.99D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.614D-04 0.570D-03 0.816D-03-0.670D-03-0.538D-02-0.227D-01
 Coeff-Com: -0.407D-01 0.314D+00 0.754D+00
 Coeff:     -0.614D-04 0.570D-03 0.816D-03-0.670D-03-0.538D-02-0.227D-01
 Coeff:     -0.407D-01 0.314D+00 0.754D+00
 Gap=     0.356 Goal=   None    Shift=    0.000
 RMSDP=4.61D-07 MaxDP=2.44D-05 DE=-3.75D-09 OVMax= 9.84D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.20D-07    CP:  9.44D-01  1.16D+00  1.27D+00  1.24D+00  1.29D+00
                    CP:  1.33D+00  1.38D+00  1.39D+00  1.08D+00
 E= -398.852125010410     Delta-E=       -0.000000000560 Rises=F Damp=F
 DIIS: error= 2.58D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -398.852125010410     IErMin=10 ErrMin= 2.58D-07
 ErrMax= 2.58D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.38D-11 BMatP= 4.04D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.842D-05-0.208D-03-0.950D-04 0.177D-02 0.266D-02-0.298D-02
 Coeff-Com: -0.313D-01-0.403D-01 0.168D+00 0.902D+00
 Coeff:      0.842D-05-0.208D-03-0.950D-04 0.177D-02 0.266D-02-0.298D-02
 Coeff:     -0.313D-01-0.403D-01 0.168D+00 0.902D+00
 Gap=     0.356 Goal=   None    Shift=    0.000
 RMSDP=1.78D-07 MaxDP=1.04D-05 DE=-5.60D-10 OVMax= 4.07D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  8.47D-08    CP:  9.44D-01  1.16D+00  1.27D+00  1.24D+00  1.29D+00
                    CP:  1.33D+00  1.38D+00  1.42D+00  1.19D+00  1.29D+00
 E= -398.852125010483     Delta-E=       -0.000000000073 Rises=F Damp=F
 DIIS: error= 7.38D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -398.852125010483     IErMin=11 ErrMin= 7.38D-08
 ErrMax= 7.38D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.33D-12 BMatP= 3.38D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.844D-05-0.107D-03-0.110D-03 0.499D-03 0.119D-02 0.147D-02
 Coeff-Com: -0.331D-02-0.411D-01-0.349D-01 0.213D+00 0.864D+00
 Coeff:      0.844D-05-0.107D-03-0.110D-03 0.499D-03 0.119D-02 0.147D-02
 Coeff:     -0.331D-02-0.411D-01-0.349D-01 0.213D+00 0.864D+00
 Gap=     0.356 Goal=   None    Shift=    0.000
 RMSDP=5.75D-08 MaxDP=3.19D-06 DE=-7.30D-11 OVMax= 1.40D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  3.08D-08    CP:  9.44D-01  1.16D+00  1.27D+00  1.24D+00  1.29D+00
                    CP:  1.33D+00  1.38D+00  1.42D+00  1.23D+00  1.41D+00
                    CP:  1.18D+00
 E= -398.852125010498     Delta-E=       -0.000000000015 Rises=F Damp=F
 DIIS: error= 2.23D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -398.852125010498     IErMin=12 ErrMin= 2.23D-08
 ErrMax= 2.23D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.57D-13 BMatP= 3.33D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.144D-05-0.680D-05-0.226D-04-0.640D-04 0.349D-04 0.740D-03
 Coeff-Com:  0.259D-02-0.673D-02-0.279D-01-0.399D-01 0.251D+00 0.820D+00
 Coeff:      0.144D-05-0.680D-05-0.226D-04-0.640D-04 0.349D-04 0.740D-03
 Coeff:      0.259D-02-0.673D-02-0.279D-01-0.399D-01 0.251D+00 0.820D+00
 Gap=     0.356 Goal=   None    Shift=    0.000
 RMSDP=1.85D-08 MaxDP=8.54D-07 DE=-1.52D-11 OVMax= 5.00D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  7.61D-09    CP:  9.44D-01  1.16D+00  1.27D+00  1.24D+00  1.29D+00
                    CP:  1.33D+00  1.38D+00  1.42D+00  1.23D+00  1.44D+00
                    CP:  1.27D+00  1.19D+00
 E= -398.852125010489     Delta-E=        0.000000000009 Rises=F Damp=F
 DIIS: error= 7.95D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -398.852125010498     IErMin=13 ErrMin= 7.95D-09
 ErrMax= 7.95D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.17D-14 BMatP= 4.57D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.556D-06 0.105D-04 0.606D-05-0.790D-04-0.126D-03 0.625D-04
 Coeff-Com:  0.121D-02 0.265D-02-0.479D-02-0.386D-01-0.250D-01 0.245D+00
 Coeff-Com:  0.819D+00
 Coeff:     -0.556D-06 0.105D-04 0.606D-05-0.790D-04-0.126D-03 0.625D-04
 Coeff:      0.121D-02 0.265D-02-0.479D-02-0.386D-01-0.250D-01 0.245D+00
 Coeff:      0.819D+00
 Gap=     0.356 Goal=   None    Shift=    0.000
 RMSDP=5.94D-09 MaxDP=1.97D-07 DE= 9.32D-12 OVMax= 2.22D-07

 SCF Done:  E(RM11) =  -398.852125010     A.U. after   13 cycles
            NFock= 13  Conv=0.59D-08     -V/T= 2.0070
 KE= 3.960862040926D+02 PE=-1.578287715645D+03 EE= 4.614945770203D+02
 Leave Link  502 at Thu Aug 12 20:53:41 2021, MaxMem=  5368709120 cpu:             950.9 elap:             119.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   224
 NBasis=   224 NAE=    28 NBE=    28 NFC=     0 NFV=     0
 NROrb=    224 NOA=    28 NOB=    28 NVA=   196 NVB=   196

 **** Warning!!: The largest alpha MO coefficient is  0.52644685D+02

 Leave Link  801 at Thu Aug 12 20:53:42 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4334 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          14
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 9.15D-14 8.33D-09 XBig12= 1.00D+00 1.88D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 9.15D-14 8.33D-09 XBig12= 1.85D-01 4.84D-02.
     11 vectors produced by pass  2 Test12= 9.15D-14 8.33D-09 XBig12= 2.50D-02 3.08D-02.
     11 vectors produced by pass  3 Test12= 9.15D-14 8.33D-09 XBig12= 2.04D-03 7.62D-03.
     11 vectors produced by pass  4 Test12= 9.15D-14 8.33D-09 XBig12= 1.02D-04 1.40D-03.
     11 vectors produced by pass  5 Test12= 9.15D-14 8.33D-09 XBig12= 3.79D-06 2.47D-04.
     11 vectors produced by pass  6 Test12= 9.15D-14 8.33D-09 XBig12= 1.15D-07 4.20D-05.
     11 vectors produced by pass  7 Test12= 9.15D-14 8.33D-09 XBig12= 3.51D-09 6.06D-06.
     11 vectors produced by pass  8 Test12= 9.15D-14 8.33D-09 XBig12= 7.70D-11 1.28D-06.
     10 vectors produced by pass  9 Test12= 9.15D-14 8.33D-09 XBig12= 1.33D-12 1.59D-07.
      5 vectors produced by pass 10 Test12= 9.15D-14 8.33D-09 XBig12= 2.13D-14 1.66D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.13D-14
 Solved reduced A of dimension   114 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.656795D+02
      2  0.177344D+00  0.646102D+02
      3 -0.161999D+01  0.383437D+00  0.488166D+02
 Isotropic polarizability for W=    0.088559       59.70 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.231836D+02 -0.244127D+01 -0.221539D+01
      2  -0.187735D+02  0.308567D+01  0.709640D+00
      3  -0.441007D+01 -0.644402D+00  0.150575D+01
      4   0.420936D+01 -0.113539D+02 -0.153435D+01
      5  -0.289838D+01 -0.400361D+01  0.286977D+02
      6  -0.133651D+01 -0.346325D+00  0.626066D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.896418D-01 -0.183311D+01 -0.160984D+01
      2   0.147570D+00 -0.497632D+00  0.131554D+02
      3   0.510565D+01  0.521302D+01  0.151251D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.246926D+01 -0.105596D+01 -0.690506D+01
      2   0.682988D+00 -0.197838D+00  0.331078D+02
      3   0.665063D+01 -0.741968D+01  0.266710D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.109875D+00  0.374762D+00 -0.905758D+00
      2   0.374762D+00  0.661976D+00 -0.138109D+01
      3  -0.905758D+00 -0.138109D+01  0.373137D+00
 OR G Eigenvalues:    -1.1112    -0.2101     2.2466  Iso=    -0.3084
 Eigenvectors:
   (1)   0.489376   0.469144   0.735129
   (2)   0.794898  -0.586674  -0.154761
   (3)   0.358676   0.660089  -0.660026
 w=    0.088559 a.u., Optical Rotation Beta=     -0.3084 au.
 Molar Mass =    105.0932 grams/mole, [Alpha] ( 5145.0 A) =     -148.81 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   25200 ScalPx= 6.40D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   25200 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.03D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.52D-14 2.78D-09 XBig12= 1.00D+00 3.52D-01.
     30 vectors produced by pass  1 Test12= 1.52D-14 2.78D-09 XBig12= 4.29D-02 3.06D-02.
     30 vectors produced by pass  2 Test12= 1.52D-14 2.78D-09 XBig12= 8.06D-04 4.20D-03.
     30 vectors produced by pass  3 Test12= 1.52D-14 2.78D-09 XBig12= 1.06D-05 4.45D-04.
     30 vectors produced by pass  4 Test12= 1.52D-14 2.78D-09 XBig12= 1.66D-07 6.64D-05.
     30 vectors produced by pass  5 Test12= 1.52D-14 2.78D-09 XBig12= 1.67D-09 4.37D-06.
     30 vectors produced by pass  6 Test12= 1.52D-14 2.78D-09 XBig12= 1.67D-11 3.74D-07.
     30 vectors produced by pass  7 Test12= 1.52D-14 2.78D-09 XBig12= 1.21D-13 2.88D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.67D-15
 Solved reduced A of dimension   240 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   25200 ScalPx= 2.20D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   25200 ScalPx= 2.20D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   25200 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.80D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.656795D+02  0.177344D+00 -0.161999D+01
      2   0.177344D+00  0.646102D+02  0.383437D+00
      3  -0.161999D+01  0.383437D+00  0.488166D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.896418D-01 -0.183311D+01 -0.160984D+01
      2   0.147570D+00 -0.497632D+00  0.131554D+02
      3   0.510565D+01  0.521302D+01  0.151251D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.231836D+02 -0.244127D+01 -0.221539D+01
      2  -0.187735D+02  0.308567D+01  0.709640D+00
      3  -0.441007D+01 -0.644402D+00  0.150575D+01
      4   0.420936D+01 -0.113539D+02 -0.153435D+01
      5  -0.289838D+01 -0.400361D+01  0.286977D+02
      6  -0.133651D+01 -0.346325D+00  0.626066D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.218143D+00 -0.205143D+01  0.109930D+01 -0.329633D+01  0.148368D+01
      2  -0.205143D+01  0.266047D+01 -0.302609D+00  0.148368D+01  0.467798D+01
      3   0.109930D+01 -0.302609D+00  0.193015D+01 -0.374712D+00  0.131088D+01
                 6             7             8             9            10 
      1  -0.374712D+00  0.191960D+01 -0.600671D+00  0.101062D+01  0.428695D+00
      2   0.131088D+01 -0.600671D+00  0.172648D+01 -0.813274D-01  0.327495D+01
      3  -0.354051D+00  0.101062D+01 -0.813274D-01 -0.771557D+01 -0.102461D+01
                11            12            13            14            15 
      1   0.327495D+01 -0.102461D+01  0.297673D+01 -0.313967D+00  0.410545D-01
      2  -0.183826D+01  0.559688D+00 -0.313967D+00 -0.304477D+01 -0.827703D+00
      3   0.559688D+00 -0.745505D+00  0.410545D-01 -0.827703D+00  0.943910D+00
                16            17            18            19            20 
      1  -0.109835D+01  0.104691D+01 -0.121683D+01 -0.258450D+01 -0.169764D+01
      2   0.104691D+01 -0.137345D+01  0.407266D+00 -0.169764D+01  0.139977D+01
      3  -0.121683D+01  0.407266D+00  0.740140D+01  0.684502D-01  0.945626D-01
                21            22            23            24            25 
      1   0.684502D-01 -0.106520D+00  0.191093D+01  0.256274D+00 -0.620499D+00
      2   0.945626D-01  0.191093D+01  0.579607D+01  0.926913D-01  0.250141D+00
      3  -0.612619D+00  0.256274D+00  0.926913D-01  0.388301D+00 -0.200775D+00
                26            27            28            29            30 
      1   0.250141D+00 -0.200775D+00 -0.805883D+01  0.154255D+01  0.545987D+00
      2   0.531951D+00  0.177262D+00  0.154255D+01 -0.264765D+01 -0.180832D+00
      3   0.177262D+00 -0.435196D+00  0.545987D+00 -0.180832D+00 -0.855547D+00
                31            32            33            34            35 
      1  -0.165271D+01 -0.357142D+01  0.221397D-01  0.141566D+01 -0.157406D+00
      2  -0.357142D+01 -0.452531D+00  0.238868D+00 -0.157406D+00  0.173558D+00
      3   0.221397D-01  0.238868D+00  0.507957D+00 -0.172435D+01  0.129051D+01
                36            37            38            39            40 
      1  -0.172435D+01  0.737675D+01  0.742039D+00  0.937214D+00  0.270335D+01
      2   0.129051D+01  0.742039D+00  0.953892D-01 -0.369310D+00  0.843722D+00
      3   0.878717D+00  0.937214D+00 -0.369310D+00 -0.132825D+01 -0.725317D+00
                41            42            43            44            45 
      1   0.843722D+00 -0.725317D+00  0.243223D+01 -0.473470D+00 -0.612451D+00
      2   0.100703D+01  0.294279D+00 -0.473470D+00  0.843735D+00  0.132593D+01
      3   0.294279D+00  0.171203D+01 -0.612451D+00  0.132593D+01  0.408497D+01
                46            47            48            49            50 
      1  -0.208271D+01 -0.179505D+01  0.100772D+01 -0.115076D+01 -0.173986D+01
      2  -0.179505D+01 -0.167270D+01  0.100331D+00 -0.173986D+01  0.515141D+01
      3   0.100772D+01  0.100331D+00 -0.216301D+01  0.384463D+00  0.686825D+00
                51            52            53            54            55 
      1   0.384463D+00  0.115804D+01  0.406253D+00 -0.227604D+01 -0.214171D+01
      2   0.686825D+00  0.406253D+00  0.746667D+00 -0.794544D+00 -0.330070D+01
      3  -0.798777D+00 -0.227604D+01 -0.794544D+00 -0.384440D+01 -0.949220D-01
                56            57            58            59            60 
      1  -0.330070D+01 -0.949220D-01 -0.403112D+01 -0.252877D+01 -0.942032D-01
      2  -0.277228D+01 -0.213255D+00 -0.252877D+01 -0.129081D+02 -0.147009D+00
      3  -0.213255D+00 -0.260396D+00 -0.942032D-01 -0.147009D+00 -0.229299D+01
                61            62            63            64            65 
      1  -0.605352D-01 -0.272558D-01 -0.109562D+01  0.367168D+00 -0.542279D+00
      2  -0.272558D-01 -0.209782D-01 -0.315959D+01 -0.542279D+00  0.448759D+00
      3  -0.109562D+01 -0.315959D+01 -0.456195D-01 -0.117407D+01 -0.446804D-01
                66            67            68            69            70 
      1  -0.117407D+01 -0.109667D+01  0.347317D+00  0.135946D+00 -0.175316D+01
      2  -0.446804D-01  0.347317D+00  0.427950D+00 -0.113501D+01 -0.179710D+00
      3   0.107269D+01  0.135946D+00 -0.113501D+01 -0.547232D+00  0.917128D+00
                71            72            73            74            75 
      1  -0.179710D+00  0.917128D+00  0.193708D-01  0.241744D+00  0.995179D+00
      2  -0.147239D+01 -0.630626D-01  0.241744D+00 -0.311399D+00  0.829837D-01
      3  -0.630626D-01 -0.865967D+01  0.995179D+00  0.829837D-01 -0.703714D+00
                76            77            78            79            80 
      1   0.872552D+00 -0.149451D+00 -0.648709D-02  0.166420D+01 -0.188837D+00
      2  -0.149451D+00 -0.461169D+00  0.101524D+01 -0.188837D+00  0.129820D+01
      3  -0.648709D-02  0.101524D+01  0.640327D+00  0.169411D+00 -0.618539D+00
                81            82            83            84            85 
      1   0.169411D+00 -0.735031D+00 -0.932921D+00 -0.397631D+00 -0.147810D+01
      2  -0.618539D+00 -0.932921D+00 -0.405573D+00  0.508033D-01  0.603898D-02
      3   0.868435D+01 -0.397631D+00  0.508033D-01 -0.239999D+00  0.203955D-01
                86            87            88            89            90 
      1   0.603898D-02  0.203955D-01 -0.100347D+01  0.816523D-01 -0.135825D+00
      2  -0.834522D+01 -0.538430D+00  0.816523D-01 -0.130551D+01 -0.114294D+01
      3  -0.538430D+00 -0.109328D+01 -0.135825D+00 -0.114294D+01  0.109798D+00
                91            92            93            94            95 
      1   0.226164D+01  0.176912D+01 -0.261415D+00  0.427106D+01  0.274115D+00
      2   0.176912D+01  0.678143D+00  0.932271D-01  0.274115D+00  0.454204D+01
      3  -0.261415D+00  0.932271D-01 -0.398885D+00 -0.225804D+00  0.145337D+00
                96            97            98            99           100 
      1  -0.225804D+00 -0.430911D+00 -0.121129D+00 -0.545952D+00  0.414113D+00
      2   0.145337D+00 -0.121129D+00 -0.736858D-01  0.525625D+00  0.808120D+00
      3   0.814188D+00 -0.545952D+00  0.525625D+00  0.123115D+00  0.788438D+00
               101           102           103           104           105 
      1   0.808120D+00  0.788438D+00  0.700595D+00  0.418740D+00  0.457512D+00
      2   0.730364D+00  0.758197D+00  0.418740D+00  0.114881D+01  0.760260D+00
      3   0.758197D+00  0.129569D+01  0.457512D+00  0.760260D+00  0.825126D+00
               106           107           108           109           110 
      1   0.170450D+01  0.587263D+00  0.167522D+01  0.272334D+01  0.245834D+01
      2   0.587263D+00  0.230978D+01  0.189746D+01  0.245834D+01  0.295617D+01
      3   0.167522D+01  0.189746D+01  0.571626D+01 -0.113507D+01 -0.975586D+00
               111           112           113           114           115 
      1  -0.113507D+01  0.263798D+01  0.208515D+01 -0.829413D+00 -0.215128D+01
      2  -0.975586D+00  0.208515D+01  0.331638D+01 -0.972862D+00 -0.132604D+01
      3   0.141239D+01 -0.829413D+00 -0.972862D+00  0.109551D+01  0.140050D+01
               116           117           118           119           120 
      1  -0.132604D+01  0.140050D+01  0.222985D+01 -0.516845D+00 -0.135456D+01
      2  -0.207797D+01  0.145207D+01 -0.516845D+00  0.678810D+00  0.346479D+00
      3   0.145207D+01 -0.162389D+01 -0.135456D+01  0.346479D+00  0.159700D+01
               121           122           123           124           125 
      1  -0.135005D+01  0.933761D+00  0.938150D+00 -0.317602D+01  0.702306D+00
      2   0.933761D+00 -0.855924D+00 -0.923365D+00  0.702306D+00 -0.130637D+01
      3   0.938150D+00 -0.923365D+00 -0.184101D+01  0.263498D+01 -0.121613D+01
               126 
      1   0.263498D+01
      2  -0.121613D+01
      3  -0.467426D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.185655D+01  0.425334D+00  0.121005D+01 -0.141983D+01  0.713465D+01
      2   0.179498D+01 -0.205456D+00  0.150217D+01 -0.110261D+01  0.459608D+00
      3   0.237861D+01  0.523473D+00 -0.690094D+00  0.668408D+01 -0.843559D+01
                 6             7             8             9            10 
      1  -0.177970D+01  0.168300D+00  0.214487D+01 -0.620323D+01 -0.140741D+01
      2  -0.628127D+00 -0.319717D+01  0.588349D+00 -0.717186D+01  0.282723D+01
      3  -0.896570D+00 -0.189538D+01 -0.185799D+01 -0.343585D+00  0.928272D+00
                11            12            13            14            15 
      1   0.699777D+00 -0.689569D+00  0.561491D+00  0.109093D+00 -0.697708D+00
      2  -0.705159D+00  0.343674D+01  0.195752D+01 -0.173869D+01  0.120086D+01
      3  -0.559091D+01  0.581915D+00 -0.736245D+00  0.126381D+01  0.933201D+00
                16            17            18            19            20 
      1  -0.116055D+01  0.464526D+01  0.310460D-01  0.835615D+00  0.793683D+00
      2  -0.312060D+01  0.349727D+00  0.105225D+01 -0.536280D+01 -0.115815D+00
      3  -0.371287D+00  0.979298D+00  0.565455D+00 -0.548330D+01 -0.174821D+00
                21            22            23            24            25 
      1   0.511346D+00  0.173947D+01 -0.353145D+00  0.872662D+01 -0.169312D+00
      2  -0.517903D+01 -0.792419D+00  0.117574D+01 -0.210879D+01 -0.186871D+02
      3  -0.261024D+00  0.732083D+00  0.940753D+01 -0.166239D+01  0.177375D+01
                26            27            28            29            30 
      1   0.935410D+01  0.586922D+00 -0.914026D+00 -0.924444D+00  0.262605D+01
      2  -0.205488D+01  0.388949D+01  0.532962D+00  0.290187D+00  0.734155D+01
      3  -0.207278D+01  0.946663D+00 -0.560578D+01 -0.148922D+02  0.175262D+00
                31            32            33            34            35 
      1  -0.536967D+00 -0.692829D+00 -0.386478D+01  0.757984D+00  0.209679D+01
      2   0.939322D+00 -0.257773D+00 -0.615283D+00  0.560887D+01 -0.900518D+00
      3  -0.111037D+02 -0.756237D+01  0.563652D+00  0.438865D+00  0.209054D+01
                36            37            38            39            40 
      1  -0.622807D+00 -0.306554D+00 -0.320455D+00  0.762894D-01  0.133041D+01
      2  -0.261741D+01  0.153624D+01 -0.169865D+01  0.249549D+01 -0.192894D+01
      3   0.191246D+01 -0.694176D+01 -0.745179D+01  0.181156D+01  0.291948D+00
                41            42            43            44            45 
      1  -0.953682D+00 -0.246729D+01  0.180827D+01  0.158705D+01  0.111697D+01
      2   0.134083D+01  0.560824D+01 -0.686964D+01  0.388757D+01  0.118390D+02
      3  -0.494393D+01 -0.197614D+01  0.157480D+01 -0.254957D+01 -0.476285D+01
                46            47            48            49            50 
      1  -0.222675D+01 -0.106075D+01  0.529893D+01 -0.203000D+01 -0.358808D+01
      2  -0.691236D-01  0.148215D+01  0.363352D+01  0.462143D+00  0.862878D+00
      3  -0.491819D+01 -0.110319D+02  0.134555D+01  0.219832D+01 -0.240829D+01
                51            52            53            54            55 
      1  -0.279787D+01  0.602980D+01  0.709595D+01  0.736815D+01  0.212682D+00
      2  -0.802812D+00 -0.343509D+01 -0.673981D+00  0.284539D+00  0.401273D+00
      3   0.564040D+00  0.286075D+01  0.106712D+01 -0.536871D+01 -0.708554D-01
                56            57            58            59            60 
      1   0.229712D+00 -0.296908D+01 -0.108404D-01  0.107421D+01 -0.106690D+02
      2   0.255485D+00  0.488866D+01 -0.136686D+01 -0.484505D+00  0.439794D+01
      3  -0.477281D+01 -0.187825D+00  0.919150D+01 -0.181781D+02  0.287080D+00
                61            62            63            64            65 
      1  -0.448002D+00  0.101920D+01  0.136496D+00  0.279573D+00 -0.796879D+00
      2   0.275774D+01  0.463389D+01 -0.107495D+01  0.457739D+00 -0.132157D-01
      3  -0.103270D+01  0.269996D+00 -0.444909D+01  0.307689D+00 -0.733795D+00
                66            67            68            69            70 
      1   0.209305D+00 -0.548379D+00 -0.389565D+00 -0.242493D+00  0.127130D+00
      2   0.756305D+00 -0.284062D+00  0.326786D+00 -0.635206D+00 -0.249278D+01
      3  -0.228963D+00  0.131981D+01 -0.223982D+00  0.254314D+00 -0.307932D-01
                71            72            73            74            75 
      1   0.318676D+01  0.107172D+01  0.984034D+00 -0.509725D+00 -0.253877D+00
      2  -0.166162D+00 -0.148816D+01  0.138515D+01  0.820915D-01 -0.228999D+00
      3   0.396860D+00  0.401268D+00 -0.162653D+00 -0.658440D+00 -0.915111D+00
                76            77            78            79            80 
      1  -0.220871D+00  0.480756D+00  0.437683D-01  0.874237D-01  0.315486D+01
      2  -0.423324D+00  0.150010D+01  0.728526D+00 -0.376697D+01 -0.517574D+00
      3   0.226158D+00  0.625003D+00 -0.116025D+01 -0.112135D+01 -0.131180D+01
                81            82            83            84            85 
      1   0.705111D+01 -0.108904D+01 -0.940029D-01 -0.350945D+00 -0.702587D-01
      2   0.994444D+01 -0.226427D+00  0.332251D+00  0.479252D+00  0.296270D+00
      3   0.543518D+00  0.312452D+01  0.147979D+01  0.597857D+00  0.509834D+01
                86            87            88            89            90 
      1  -0.432325D+01 -0.394248D+01 -0.656913D-01 -0.104146D+01 -0.590877D+00
      2   0.122389D+00 -0.102053D+01 -0.825242D+00 -0.109774D+01  0.170526D+00
      3   0.103900D+02  0.665855D+00  0.162637D+01  0.156407D+01  0.133810D+01
                91            92            93            94            95 
      1   0.963054D+00  0.706217D+00  0.100317D+01  0.734898D+00  0.101309D+01
      2  -0.626547D+00 -0.576763D+00 -0.139720D+01 -0.325232D+00 -0.674606D+00
      3   0.844761D+01  0.918031D+01 -0.346001D+00  0.120903D+02  0.149718D+02
                96            97            98            99           100 
      1  -0.104342D+01  0.782640D+00  0.111734D+01  0.101979D+00 -0.146803D+01
      2  -0.204289D+01 -0.210223D+01 -0.160264D+01  0.135294D+00 -0.559190D+00
      3   0.125713D+00 -0.827212D+00 -0.102057D+01 -0.156202D+00  0.805557D+00
               101           102           103           104           105 
      1  -0.801010D+00 -0.316989D+01 -0.617415D+00 -0.180663D+01 -0.229764D+01
      2   0.173089D+00  0.524414D+00  0.602539D-01 -0.119847D+00  0.394813D+00
      3   0.898935D+00  0.109413D+01  0.188969D+01  0.639934D+00  0.757085D+00
               106           107           108           109           110 
      1  -0.415849D+01 -0.201898D+01 -0.120045D+02  0.237006D+01  0.193658D+01
      2  -0.192770D+01  0.579230D+00  0.796510D+00  0.810284D+00 -0.201708D+00
      3   0.351592D+01  0.191554D+00  0.346268D+01  0.605676D+01  0.300282D+01
               111           112           113           114           115 
      1  -0.368071D+01  0.191568D+01  0.180331D+01 -0.260480D+01 -0.308864D+01
      2   0.919978D+00  0.470618D-01  0.424563D-01  0.763430D+00 -0.875407D+00
      3  -0.224918D+01  0.613121D+01  0.265971D+01 -0.168788D+01 -0.512936D+01
               116           117           118           119           120 
      1  -0.172845D+01  0.295535D+01 -0.897568D-01 -0.284036D+00  0.178922D+00
      2   0.378516D+00 -0.785793D+00 -0.370915D+01  0.109754D+01  0.524221D+01
      3  -0.180674D+01  0.258597D+01  0.104695D+01 -0.208737D+01 -0.920498D+00
               121           122           123           124           125 
      1  -0.200183D-01  0.296054D+00 -0.778280D+00 -0.584298D+00  0.169538D+01
      2   0.246087D+01 -0.255537D+01 -0.524017D+01  0.609027D+01 -0.349002D+01
      3  -0.117045D+01  0.188071D+01  0.242472D+01 -0.138237D+01  0.406001D+01
               126 
      1  -0.805949D+00
      2  -0.141663D+02
      3   0.332432D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.177809D+02 -0.107728D+01 -0.557395D+00 -0.840688D+01  0.133718D+02
      2   0.823290D+01 -0.196875D+01 -0.272818D+01  0.385497D+01 -0.188735D+02
      3   0.954804D+01  0.304603D+01  0.328557D+01  0.455191D+01  0.550170D+01
      4  -0.250562D+01  0.740507D+00 -0.614973D+00  0.749264D+01  0.775262D+01
      5   0.238334D+01 -0.560038D+00 -0.113280D+01 -0.932464D+00  0.240961D+01
      6  -0.416457D+01  0.336890D+01 -0.234668D+01  0.121372D+01 -0.407539D+01
                 6             7             8             9            10 
      1   0.149682D+01  0.584672D+01  0.983757D+00  0.143342D+02 -0.567850D+01
      2  -0.236549D+01 -0.318589D+01 -0.200479D+01  0.398323D+01  0.695948D+01
      3   0.868676D+00 -0.266083D+01  0.102104D+01 -0.183175D+02 -0.128099D+01
      4   0.249403D+01 -0.233674D+01  0.413703D+01 -0.187389D+01  0.103056D+01
      5  -0.142278D+01  0.332682D+01 -0.426531D+00 -0.156526D+02 -0.402567D+00
      6   0.179053D+01 -0.115132D+01  0.374846D+00  0.561758D+01  0.160507D+01
                11            12            13            14            15 
      1   0.208994D+01 -0.117746D+01  0.619677D+00  0.329502D+01  0.147545D+01
      2  -0.191604D+01 -0.270865D+00 -0.166279D+00 -0.786482D+01 -0.547312D+00
      3  -0.173901D+00  0.144833D+01 -0.453398D+00  0.456980D+01 -0.928134D+00
      4   0.311338D+01  0.919274D+00 -0.681725D+01  0.723842D+00 -0.740776D+00
      5   0.798636D+00  0.133586D+01 -0.438221D+00 -0.159407D+00  0.164896D+01
      6  -0.220693D+01  0.849171D-01 -0.230938D+01  0.269444D+00 -0.319839D+01
                16            17            18            19            20 
      1  -0.539987D+01  0.195087D+01  0.608314D+01 -0.373735D+01  0.928315D+01
      2   0.132595D+00 -0.376886D+01  0.115577D+02 -0.456078D+00 -0.985600D+01
      3   0.526727D+01  0.181799D+01 -0.176409D+02  0.419343D+01  0.572853D+00
      4  -0.137488D+01 -0.119580D+01  0.156275D+01  0.237894D+01 -0.116436D+02
      5  -0.217635D+01  0.144116D-01  0.858952D+01  0.253300D+00 -0.178697D+01
      6   0.787390D+00  0.771921D+00  0.804331D+00 -0.559970D+00  0.108279D+00
                21            22            23            24            25 
      1  -0.110435D+01  0.206885D+01  0.699077D+01 -0.138527D+00  0.203108D+00
      2  -0.224434D+01 -0.467599D+01 -0.182290D+02  0.824283D+00 -0.118338D+01
      3   0.334869D+01  0.260714D+01  0.112383D+02 -0.685756D+00  0.980275D+00
      4  -0.107760D+01 -0.207558D+02 -0.230011D+02 -0.310477D+00 -0.331931D+00
      5  -0.651567D+01 -0.228327D+01 -0.145361D+01 -0.226417D+01  0.204667D+01
      6   0.113751D+01 -0.867472D+00 -0.160743D+01 -0.131981D+02 -0.353913D+00
                26            27            28            29            30 
      1  -0.225154D+01 -0.491114D+01  0.414163D+02 -0.746378D+01 -0.105608D+01
      2   0.101103D+01 -0.657925D+01 -0.251035D+02  0.162234D+01  0.190600D+01
      3   0.124051D+01  0.114904D+02 -0.163128D+02  0.584143D+01 -0.849922D+00
      4   0.224830D+01 -0.217115D+01 -0.190667D+02  0.171777D+02  0.124727D+01
      5  -0.157146D+01  0.310489D+01 -0.253433D+01  0.547075D+00  0.139496D+02
      6   0.349593D+01 -0.513718D+00  0.866456D+00 -0.438335D+00 -0.455263D+01
                31            32            33            34            35 
      1   0.478068D+01  0.951713D+01 -0.102471D+01 -0.769190D+00  0.375976D+00
      2  -0.665056D+01 -0.271307D+01  0.368330D+00  0.159376D+01  0.181302D+00
      3   0.186988D+01 -0.680407D+01  0.656384D+00 -0.824573D+00 -0.557278D+00
      4   0.156805D+02 -0.529214D+01 -0.130596D+01  0.129400D+01 -0.161726D+01
      5  -0.442501D+00 -0.139153D+01 -0.320425D+01  0.137025D+02 -0.602618D+01
      6  -0.728134D+00  0.101546D+01  0.801598D+01 -0.206604D+01  0.541382D+01
                36            37            38            39            40 
      1   0.509291D+01  0.483982D+02  0.416850D+01  0.557304D+01  0.149140D+02
      2  -0.787544D+01 -0.250439D+02 -0.208138D+01 -0.212312D+01 -0.916112D+01
      3   0.278253D+01 -0.233543D+02 -0.208711D+01 -0.344992D+01 -0.575283D+01
      4  -0.561731D+01  0.817418D+00  0.107232D+02 -0.369934D+01  0.780389D+01
      5  -0.479477D+01  0.597346D+01 -0.280291D+01  0.371043D+01 -0.435657D+01
      6   0.132259D+01 -0.100038D+01 -0.359143D+00  0.126077D+01  0.179179D+01
                41            42            43            44            45 
      1   0.288736D+01 -0.296177D+01  0.862637D+01 -0.158749D+01 -0.383750D+01
      2   0.320285D+01  0.223994D+01 -0.676086D+01  0.115116D+01  0.223349D+00
      3  -0.609021D+01  0.721831D+00 -0.186551D+01  0.436331D+00  0.361415D+01
      4   0.559912D+01  0.335912D+01 -0.493724D+01  0.432635D+01  0.805231D+01
      5   0.342580D+01  0.963723D+01  0.186584D+00  0.772371D+01  0.209145D+02
      6  -0.140905D+01  0.119633D+01  0.169087D+01  0.205022D+01 -0.514085D+01
                46            47            48            49            50 
      1   0.130073D+02  0.137737D+01  0.116234D+01  0.199074D+01 -0.176107D+02
      2  -0.115853D+02 -0.511901D+01  0.179482D+01 -0.577718D+01  0.284716D+02
      3  -0.142201D+01  0.374164D+01 -0.295716D+01  0.378644D+01 -0.108608D+02
      4  -0.805255D+01 -0.532521D+01  0.304289D+01  0.552379D+00 -0.599856D+01
      5   0.174302D+01  0.155042D+01  0.374718D+00  0.109329D+01  0.733013D+00
      6   0.454826D+01  0.304171D+01 -0.932478D+01  0.325538D+01  0.437107D+01
                51            52            53            54            55 
      1  -0.864668D+00 -0.822381D+00  0.168826D+00 -0.181044D+00  0.104667D+02
      2   0.367130D+01  0.339181D+01  0.434251D+01 -0.440241D+00 -0.125330D+01
      3  -0.280663D+01 -0.256943D+01 -0.451134D+01  0.621285D+00 -0.921336D+01
      4   0.160475D+01  0.389828D+01  0.224068D+01 -0.980959D+01  0.176049D+02
      5  -0.241180D+01  0.102519D+01 -0.378765D+01 -0.351479D+01  0.137493D+01
      6   0.238465D+01 -0.111297D+02 -0.956226D+00 -0.114397D+02  0.771997D+00
                56            57            58            59            60 
      1   0.542695D+01 -0.715074D-01  0.686083D+01 -0.216249D+02 -0.474038D+00
      2   0.303786D+01  0.525833D+00  0.340485D+01  0.419246D+02 -0.340430D-01
      3  -0.846481D+01 -0.454325D+00 -0.102657D+02 -0.202997D+02  0.508081D+00
      4   0.222069D+02  0.791415D+00  0.237378D+02  0.461905D+02  0.131408D+01
      5   0.129825D+01  0.759430D+01  0.141627D+01  0.263107D+01  0.919270D+01
      6   0.704883D+00  0.395406D+01  0.139152D+01  0.164761D+01  0.168153D+02
                61            62            63            64            65 
      1   0.538206D+00 -0.263131D+00 -0.399547D+01  0.105847D+01  0.505359D-01
      2   0.463029D+00 -0.360568D+00  0.289447D+01 -0.415231D+01  0.251223D-01
      3  -0.100123D+01  0.623699D+00  0.110100D+01  0.309384D+01 -0.756582D-01
      4   0.106794D+00 -0.265309D+00  0.109926D+02 -0.315439D+00  0.140231D+01
      5   0.893147D+01  0.111073D+02  0.305178D+00 -0.232531D+01 -0.534541D-01
      6   0.398007D+01  0.141579D+02  0.584803D+00 -0.267785D+00  0.311097D+00
                66            67            68            69            70 
      1  -0.369755D+00 -0.195707D+00 -0.380942D+01 -0.511038D+00  0.120630D+01
      2   0.188417D+01  0.109677D+01  0.304557D+00 -0.111634D+01  0.264960D+01
      3  -0.151441D+01 -0.901062D+00  0.350487D+01  0.162738D+01 -0.385590D+01
      4  -0.306443D+00  0.287818D+01 -0.424333D+00 -0.641439D+00  0.699512D+00
      5   0.691988D+01  0.568004D+00 -0.952936D+00 -0.114070D+01  0.595875D+01
      6   0.207397D+00 -0.248054D+00  0.665094D+00  0.657924D+01 -0.398108D-01
                71            72            73            74            75 
      1   0.792943D+00 -0.170359D+02  0.634034D+00  0.542703D+00  0.404261D+01
      2  -0.989462D+00 -0.168592D+02 -0.339477D+01 -0.127834D+00 -0.840351D+00
      3   0.196519D+00  0.338951D+02  0.276074D+01 -0.414868D+00 -0.320226D+01
      4  -0.479675D+00 -0.754098D+00  0.594203D+00  0.598624D+00 -0.116219D+01
      5  -0.153326D-01 -0.734310D+01  0.174901D+01 -0.140267D+00  0.475515D+01
      6   0.445848D+01 -0.185427D+01 -0.819639D+00 -0.695857D+00  0.483081D+00
                76            77            78            79            80 
      1   0.201723D+01 -0.449954D+01 -0.727228D-02  0.508277D+01  0.157145D+01
      2  -0.134702D+01  0.211070D+01 -0.135851D+01 -0.274632D+01 -0.687863D+00
      3  -0.670207D+00  0.238884D+01  0.136579D+01 -0.233645D+01 -0.883588D+00
      4   0.233732D+00 -0.677776D+00  0.253455D+01 -0.196221D+01  0.261723D+01
      5  -0.263997D-01  0.229814D+01  0.157380D+01  0.503021D+01 -0.140224D+01
      6   0.185688D+00 -0.450811D+00  0.500450D+01 -0.248087D+00  0.574291D+01
                81            82            83            84            85 
      1  -0.190788D+02 -0.951399D+00 -0.383806D+01 -0.892003D+00 -0.493311D+01
      2  -0.126269D+02  0.348457D+01  0.271446D+01  0.836249D+00  0.283662D+01
      3   0.317057D+02 -0.253317D+01  0.112360D+01  0.557538D-01  0.209649D+01
      4  -0.230943D-01 -0.165343D+01  0.397385D+01  0.610111D+00  0.529926D+01
      5   0.191513D+02 -0.717907D+00 -0.776209D-01  0.665881D+00 -0.168271D+00
      6  -0.100814D+02  0.757018D+00 -0.218320D+00  0.536908D+00  0.118526D+00
                86            87            88            89            90 
      1  -0.185469D+02 -0.631526D+00 -0.247100D+01 -0.239838D+01 -0.481102D+01
      2   0.318781D+02  0.233331D+01  0.158911D+01  0.405763D+01  0.260949D+01
      3  -0.133313D+02 -0.170178D+01  0.881886D+00 -0.165925D+01  0.220153D+01
      4  -0.179940D+02 -0.109055D+01  0.937913D+00 -0.305802D+01 -0.201594D+01
      5  -0.104299D+01 -0.234515D+01  0.648123D+00 -0.257499D+01  0.191110D+00
      6   0.321045D+00  0.531031D+01  0.352101D+00  0.585135D+01  0.139096D+01
                91            92            93            94            95 
      1  -0.113618D+02 -0.258963D+01  0.181382D+00 -0.123263D+02 -0.646688D+01
      2   0.955033D+01  0.237955D+00 -0.187333D+00  0.687625D+01  0.100876D+02
      3   0.181149D+01  0.235167D+01  0.595089D-02  0.545009D+01 -0.362075D+01
      4  -0.108142D+00 -0.533869D+00 -0.519048D+00  0.702069D+01 -0.149031D+02
      5   0.100075D+01  0.334963D+00 -0.165996D+01  0.107677D+01  0.153268D+00
      6  -0.547877D+00 -0.906155D-02 -0.210416D+01 -0.301644D+00  0.468788D+00
                96            97            98            99           100 
      1   0.323390D+00  0.115836D+01  0.117814D+00 -0.106734D+01 -0.566300D+00
      2  -0.255502D+00 -0.801719D+00 -0.233643D+00  0.337620D+00  0.879497D+00
      3  -0.678882D-01 -0.356645D+00  0.115829D+00  0.729716D+00 -0.313197D+00
      4  -0.647040D+00 -0.329298D+00  0.870877D-01 -0.216415D+01  0.241361D+01
      5  -0.357827D+01  0.211312D+01 -0.196968D+01  0.501499D-01  0.250190D+01
      6   0.149931D+01 -0.137946D+01  0.253517D+01  0.138655D+00  0.273737D+01
               101           102           103           104           105 
      1  -0.115114D+01 -0.830274D+00 -0.121187D+00 -0.301710D+01 -0.179494D+01
      2   0.220909D+01  0.451485D+00  0.852745D+00  0.363488D+01  0.234221D+01
      3  -0.105795D+01  0.378789D+00 -0.731558D+00 -0.617775D+00 -0.547276D+00
      4   0.462036D+01  0.292468D+01  0.409264D+01  0.262891D+01  0.248013D+01
      5   0.155154D+01  0.407735D+01  0.685356D+00  0.163850D+01  0.142524D+01
      6   0.321716D+01  0.556738D+01  0.249485D+01  0.332289D+01  0.622820D+01
               106           107           108           109           110 
      1  -0.188574D+00 -0.509965D+01 -0.766762D+01  0.331158D+00 -0.329577D+01
      2  -0.915084D+00  0.438543D+01 -0.223702D+01  0.529741D+01  0.941703D+01
      3   0.110366D+01  0.714221D+00  0.990464D+01 -0.562856D+01 -0.612126D+01
      4   0.519302D+01  0.459874D+01  0.623047D+01  0.120155D+02  0.132773D+02
      5   0.409036D+01  0.308868D+01  0.731961D+01 -0.388889D+01 -0.305281D+01
      6   0.675997D+01  0.897627D+01  0.207255D+02 -0.628032D+01 -0.621891D+01
               111           112           113           114           115 
      1   0.409834D+00 -0.184074D+01 -0.563494D+01  0.159783D+01  0.143650D+01
      2  -0.259681D+01  0.667396D+01  0.127121D+02 -0.404357D+01 -0.293444D+01
      3   0.218698D+01 -0.483322D+01 -0.707719D+01  0.244574D+01  0.149794D+01
      4  -0.528566D+01  0.116387D+02  0.106660D+02 -0.434181D+01 -0.751452D+01
      5   0.418598D+01 -0.154343D+01 -0.277670D+01  0.181113D+01  0.414907D+01
      6   0.662275D+01 -0.504974D+01 -0.658677D+01  0.580221D+01  0.687496D+01
               116           117           118           119           120 
      1   0.346198D+01 -0.308956D+01  0.123369D+02 -0.328702D+01 -0.747037D+01
      2  -0.567041D+01  0.224822D+01 -0.720135D+01  0.168693D+01  0.467244D+01
      3   0.220842D+01  0.841339D+00 -0.513553D+01  0.160010D+01  0.279793D+01
      4  -0.658098D+01  0.629448D+01 -0.497588D+01  0.427875D+01  0.351306D+01
      5   0.336220D+01 -0.376355D+01 -0.873071D+01  0.277662D+01  0.105558D+02
      6   0.844109D+01 -0.736852D+01  0.235437D+01 -0.605468D+00 -0.152651D+01
               121           122           123           124           125 
      1  -0.554621D+01  0.207482D+01  0.325938D+01 -0.133673D+02  0.192096D+01
      2   0.241844D+01 -0.499592D+00 -0.154734D+01  0.978777D+01 -0.166909D+01
      3   0.312777D+01 -0.157523D+01 -0.171204D+01  0.357957D+01 -0.251868D+00
      4   0.682211D+01 -0.509269D+01 -0.632860D+01  0.665730D+01 -0.705838D+01
      5   0.535144D+01 -0.551223D+01 -0.892193D+01  0.166469D+02 -0.734485D+01
      6  -0.256705D+01  0.243149D+01  0.458643D+01 -0.389968D+01  0.329657D+01
               126 
      1   0.762075D+01
      2  -0.978044D+01
      3   0.215969D+01
      4  -0.870340D+01
      5  -0.261775D+02
      6   0.619751D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 21:10:51 2021, MaxMem=  5368709120 cpu:            8219.8 elap:            1028.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.51523 -19.49814 -19.46456 -14.64480 -10.57774
 Alpha  occ. eigenvalues --  -10.50482 -10.50240  -1.25103  -1.18541  -1.16058
 Alpha  occ. eigenvalues --   -1.06431  -0.89804  -0.80123  -0.73327  -0.68479
 Alpha  occ. eigenvalues --   -0.65892  -0.63581  -0.60309  -0.58809  -0.56726
 Alpha  occ. eigenvalues --   -0.55841  -0.52919  -0.49744  -0.46750  -0.43645
 Alpha  occ. eigenvalues --   -0.43328  -0.41767  -0.37635
 Alpha virt. eigenvalues --   -0.02085  -0.00741  -0.00026   0.00766   0.02164
 Alpha virt. eigenvalues --    0.02512   0.03017   0.05414   0.05636   0.07906
 Alpha virt. eigenvalues --    0.08314   0.08684   0.09269   0.09771   0.10163
 Alpha virt. eigenvalues --    0.11071   0.11639   0.12490   0.13578   0.14805
 Alpha virt. eigenvalues --    0.15292   0.16565   0.17310   0.17444   0.19526
 Alpha virt. eigenvalues --    0.20743   0.22142   0.22452   0.23835   0.24456
 Alpha virt. eigenvalues --    0.25127   0.25784   0.26447   0.26964   0.27784
 Alpha virt. eigenvalues --    0.28745   0.29625   0.30163   0.30971   0.31739
 Alpha virt. eigenvalues --    0.33237   0.35057   0.35356   0.35990   0.36450
 Alpha virt. eigenvalues --    0.38614   0.38805   0.39459   0.40138   0.42336
 Alpha virt. eigenvalues --    0.42768   0.44527   0.45044   0.45179   0.47825
 Alpha virt. eigenvalues --    0.48000   0.49414   0.49989   0.51063   0.52678
 Alpha virt. eigenvalues --    0.52968   0.53665   0.54753   0.55809   0.57168
 Alpha virt. eigenvalues --    0.57725   0.59870   0.60922   0.62076   0.62921
 Alpha virt. eigenvalues --    0.63911   0.65369   0.65678   0.67261   0.68458
 Alpha virt. eigenvalues --    0.69628   0.69932   0.72517   0.73853   0.75205
 Alpha virt. eigenvalues --    0.76877   0.77208   0.78412   0.79426   0.82993
 Alpha virt. eigenvalues --    0.83826   0.84546   0.86724   0.88242   0.90624
 Alpha virt. eigenvalues --    0.91339   0.93556   0.95924   0.96828   0.98809
 Alpha virt. eigenvalues --    1.00434   1.03021   1.04542   1.05899   1.08588
 Alpha virt. eigenvalues --    1.11330   1.12063   1.12704   1.13872   1.14931
 Alpha virt. eigenvalues --    1.16259   1.17627   1.20812   1.21779   1.24016
 Alpha virt. eigenvalues --    1.26892   1.30467   1.32122   1.32685   1.33925
 Alpha virt. eigenvalues --    1.36950   1.40969   1.41751   1.44924   1.49719
 Alpha virt. eigenvalues --    1.50411   1.54491   1.56621   1.59583   1.61087
 Alpha virt. eigenvalues --    1.62472   1.64263   1.66363   1.68243   1.73254
 Alpha virt. eigenvalues --    1.73547   1.76414   1.79993   1.81730   1.84299
 Alpha virt. eigenvalues --    1.86558   1.88292   1.90854   1.93220   1.95833
 Alpha virt. eigenvalues --    1.96244   1.97073   1.99843   2.03440   2.06662
 Alpha virt. eigenvalues --    2.08262   2.09871   2.12529   2.14666   2.19586
 Alpha virt. eigenvalues --    2.20753   2.21644   2.23157   2.24933   2.26527
 Alpha virt. eigenvalues --    2.29259   2.31729   2.34449   2.35763   2.38024
 Alpha virt. eigenvalues --    2.42471   2.47466   2.48657   2.55031   2.57356
 Alpha virt. eigenvalues --    2.60748   2.64286   2.67935   2.68580   2.73170
 Alpha virt. eigenvalues --    2.75540   2.80744   2.85638   2.88390   2.95315
 Alpha virt. eigenvalues --    3.03364   3.07276   3.14474   3.22912   3.32790
 Alpha virt. eigenvalues --    3.38773   3.43471   3.45348   3.47321   3.48172
 Alpha virt. eigenvalues --    3.50516   3.51169   3.52988   3.54580   3.55854
 Alpha virt. eigenvalues --    3.63735   3.63831   3.76783   3.84535   3.96899
 Alpha virt. eigenvalues --    4.00706
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.603384   0.446413  -0.211188  -0.006553   0.275822  -0.141969
     2  C    0.446413   6.226457  -0.914219   0.110178   0.012624   0.436050
     3  C   -0.211188  -0.914219   6.654171   0.089958  -0.016834  -0.097872
     4  O   -0.006553   0.110178   0.089958   7.865829  -0.001646  -0.031948
     5  O    0.275822   0.012624  -0.016834  -0.001646   7.933656  -0.004639
     6  N   -0.141969   0.436050  -0.097872  -0.031948  -0.004639   6.202013
     7  O    0.015651  -0.081599   0.692449  -0.069725  -0.003203  -0.004514
     8  H   -0.038980  -0.059079  -0.160898   0.009455  -0.018812  -0.027319
     9  H    0.243942  -0.202291   0.000422  -0.006139  -0.193252  -0.075341
    10  H   -0.040845   0.220427  -0.137687   0.009317   0.036173   0.029476
    11  H    0.001939  -0.114053  -0.028083   0.264397  -0.000699   0.055657
    12  H   -0.087907  -0.155623   0.063101  -0.004191  -0.006605   0.433200
    13  H    0.018521   0.077309  -0.037602   0.007751  -0.005143   0.224912
    14  H    0.020353  -0.053914   0.004891  -0.000318   0.304308  -0.001805
               7          8          9         10         11         12
     1  C    0.015651  -0.038980   0.243942  -0.040845   0.001939  -0.087907
     2  C   -0.081599  -0.059079  -0.202291   0.220427  -0.114053  -0.155623
     3  C    0.692449  -0.160898   0.000422  -0.137687  -0.028083   0.063101
     4  O   -0.069725   0.009455  -0.006139   0.009317   0.264397  -0.004191
     5  O   -0.003203  -0.018812  -0.193252   0.036173  -0.000699  -0.006605
     6  N   -0.004514  -0.027319  -0.075341   0.029476   0.055657   0.433200
     7  O    7.674720   0.004963   0.010179  -0.016562   0.012180   0.001039
     8  H    0.004963   1.463785   0.107790  -0.064025  -0.006853   0.032984
     9  H    0.010179   0.107790   1.728835  -0.401558  -0.001851   0.001692
    10  H   -0.016562  -0.064025  -0.401558   1.691210   0.000254   0.007052
    11  H    0.012180  -0.006853  -0.001851   0.000254   0.656221  -0.007575
    12  H    0.001039   0.032984   0.001692   0.007052  -0.007575   0.835500
    13  H    0.001124  -0.090808  -0.007485  -0.001861   0.005151  -0.143165
    14  H    0.000531   0.007139   0.057347  -0.108690  -0.000360  -0.001237
              13         14
     1  C    0.018521   0.020353
     2  C    0.077309  -0.053914
     3  C   -0.037602   0.004891
     4  O    0.007751  -0.000318
     5  O   -0.005143   0.304308
     6  N    0.224912  -0.001805
     7  O    0.001124   0.000531
     8  H   -0.090808   0.007139
     9  H   -0.007485   0.057347
    10  H   -0.001861  -0.108690
    11  H    0.005151  -0.000360
    12  H   -0.143165  -0.001237
    13  H    0.886563   0.002519
    14  H    0.002519   0.653427
 Mulliken charges:
               1
     1  C    0.901416
     2  C    0.051320
     3  C    0.099392
     4  O   -0.236365
     5  O   -0.311749
     6  N    0.004097
     7  O   -0.237234
     8  H   -0.159341
     9  H   -0.262289
    10  H   -0.222679
    11  H    0.163675
    12  H    0.031735
    13  H    0.062213
    14  H    0.115809
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.416448
     2  C   -0.108021
     3  C    0.099392
     4  O   -0.072690
     5  O   -0.195939
     6  N    0.098045
     7  O   -0.237234
 Electronic spatial extent (au):  <R**2>=            829.6578
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              3.3826    Y=              2.3956    Z=             -1.1321  Tot=              4.2968
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -51.5812   YY=            -42.6801   ZZ=            -37.5490
   XY=             -4.7297   XZ=             -3.3880   YZ=              1.0627
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -7.6444   YY=              1.2567   ZZ=              6.3877
   XY=             -4.7297   XZ=             -3.3880   YZ=              1.0627
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              9.3655  YYY=             12.9615  ZZZ=             -0.7297  XYY=             12.6765
  XXY=              1.7862  XXZ=            -13.9799  XZZ=              5.7838  YZZ=              1.6429
  YYZ=              0.3123  XYZ=              2.5607
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -707.8327 YYYY=           -291.0080 ZZZZ=            -63.1927 XXXY=            -23.3418
 XXXZ=            -38.9777 YYYX=             -8.6935 YYYZ=              1.7167 ZZZX=             -4.1334
 ZZZY=              3.2650 XXYY=           -151.9506 XXZZ=           -106.9383 YYZZ=            -55.1503
 XXYZ=              7.8855 YYXZ=             -5.4645 ZZXY=             -0.0906
 N-N= 3.218548095216D+02 E-N=-1.578287715195D+03  KE= 3.960862040926D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 21:10:51 2021, MaxMem=  5368709120 cpu:               2.1 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.30988813D+00 9.57809582D-01-4.46868773D-01
 Polarizability= 6.00135689D+01 2.98582690D-01 5.90339544D+01
                -1.92291414D+00 6.21864480D-01 4.44474993D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.8074    0.8100        0.0866    0.0887
 2     -0.8074   -0.8100       -0.1960   -0.1917       -0.5344   -0.5346
 3     -0.0866   -0.0887        8.4280    8.4315        0.1924    0.1917
 4      0.1960    0.1917        0.0000    0.0000       -0.0862   -0.0887
 5     -7.8936   -7.8968        0.0862    0.0887        0.8076    0.8100
 6     -0.1924   -0.1917       -0.8076   -0.8100       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -2.4300   -2.4300        0.2660    0.2660
 2      0.5752    0.5752       -0.0000    0.0000        0.2660    0.2660
 3      0.5752    0.5752       -2.4300   -2.4300       -0.0000    0.0000
 4     -2.4300   -2.4300       -0.5752   -0.5752       -1.6039   -1.6039
 5     -0.2660   -0.2660       25.2944   25.2944        0.5752    0.5752
 6    -23.6905  -23.6905        0.2660    0.2660        2.4300    2.4300
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0728    0.0000       -3.4468   -3.2400       -0.8197   -0.3547
 2      3.4159    3.2400        0.9244    0.7669        1.8266    2.1386
 3      0.5476    0.3547      -33.9782  -33.7258       -0.7198   -0.7669
 4     -0.7284   -0.7669       -0.1081    0.0000        0.3324    0.3547
 5     31.7596   31.5873       -0.4067   -0.3547       -3.2917   -3.2400
 6      0.6859    0.7669        3.2000    3.2400       -0.0228    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1236    0.0000        3.4825    3.4958        1.7008    1.6855
 2     -3.5005   -3.4958       18.2442   18.3684        0.6708    0.8160
 3     -1.6904   -1.6855        3.0248    3.2043      -18.5305  -18.3684
 4    -18.2048  -18.3684       -0.1713    0.0000       -1.5111   -1.6855
 5     -4.2692   -4.0203        1.5167    1.6855        3.2173    3.4958
 6     18.2179   18.3684       -3.4937   -3.4958        0.0062    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -14.3823  -14.3635        2.0031    2.0513       -2.4782   -2.5521
 2    -39.8921  -40.0516        1.7387    1.7969       -2.5302   -2.5521
 3    -39.9497  -40.0516        2.0491    2.0513       -2.9324   -2.9250
 4      0.4490    0.2544       25.3989   25.6881       -4.5585   -4.5428
 5     -0.5471   -0.3730       10.1716   10.2727      -25.7000  -25.6881
 6     -6.0997   -5.7299        0.2908    0.3730       -0.7940   -0.2544
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.7858   -0.9958    0.0009    0.0010    0.0013    4.8879
 Low frequencies ---   48.6828  113.1570  198.8616
 Diagonal vibrational polarizability:
       51.1625215      74.6268119      46.7365880
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     48.6825               113.1569               198.8616
 Red. masses --      3.7194                 2.8194                 5.4418
 Frc consts  --      0.0052                 0.0213                 0.1268
 IR Inten    --      2.8391                10.3696                31.8820
 RamAct Fr= 1--      0.4038                 0.2443                 0.3335
  Dep-P Fr= 1--      0.7473                 0.7308                 0.7092
  Dep-U Fr= 1--      0.8554                 0.8444                 0.8299
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0002
 Beta2  Fr= 1--      0.0576                 0.0344                 0.0461
 AlphaG Fr= 1--     -0.0004                -0.0003                 0.0003
 Gamma2 Fr= 1--      0.1374                 0.2822                 0.0090
 Delta2 Fr= 1--      0.0900                 0.0987                -0.0792
 Raman1 Fr= 1--       1.615                  0.977                  1.334
 ROA1   Fr= 1--      16.075                 30.251                 -1.671
 CID1   Fr= 1--       9.954                 30.956                 -1.252
 Raman2 Fr= 1--       0.691                  0.413                  0.554
 ROA2   Fr= 1--       2.578                  5.984                  0.849
 CID2   Fr= 1--       3.732                 14.503                  1.534
 Raman3 Fr= 1--       1.381                  0.825                  1.107
 ROA3   Fr= 1--      16.075                 30.251                 -1.671
 CID3   Fr= 1--      11.637                 36.658                 -1.509
 RC180  Fr= 1--       0.711                  0.689                  0.660
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.05   0.08    -0.01  -0.11  -0.18    -0.15  -0.02  -0.16
     2   6    -0.00  -0.02  -0.07    -0.02  -0.06  -0.10    -0.01   0.18  -0.13
     3   6    -0.00  -0.01  -0.02    -0.02  -0.00   0.00     0.07   0.05  -0.02
     4   8     0.06  -0.02   0.28     0.03   0.04   0.04    -0.06  -0.09   0.03
     5   8    -0.01  -0.01   0.12    -0.02   0.16   0.17    -0.01  -0.26   0.15
     6   7     0.00   0.01  -0.19     0.06  -0.08  -0.04    -0.07   0.16  -0.02
     7   8    -0.03  -0.01  -0.21    -0.06   0.01   0.08     0.27   0.01   0.12
     8   1     0.03  -0.15  -0.05    -0.09  -0.01  -0.11    -0.05   0.27  -0.14
     9   1    -0.09   0.17   0.06    -0.19  -0.43  -0.17    -0.29  -0.19  -0.16
    10   1    -0.04   0.02   0.18     0.18  -0.06  -0.49    -0.31   0.05  -0.34
    11   1     0.09  -0.03   0.30     0.06   0.02  -0.01    -0.20  -0.01   0.03
    12   1     0.37   0.12  -0.32     0.06  -0.14  -0.03     0.05   0.11  -0.05
    13   1    -0.31   0.07  -0.49     0.12  -0.11   0.00    -0.21   0.28  -0.07
    14   1    -0.01  -0.00   0.11     0.16   0.48   0.07    -0.10   0.13  -0.06
                      4                      5                      6
                      A                      A                      A
 Frequencies --    217.1242               258.9252               320.1362
 Red. masses --      1.1289                 1.1841                 4.5336
 Frc consts  --      0.0314                 0.0468                 0.2738
 IR Inten    --     99.8694                28.8532                 9.6779
 RamAct Fr= 1--      0.8052                 0.1368                 0.4706
  Dep-P Fr= 1--      0.7267                 0.6779                 0.3376
  Dep-U Fr= 1--      0.8417                 0.8080                 0.5047
 Alpha2 Fr= 1--      0.0003                 0.0002                 0.0043
 Beta2  Fr= 1--      0.1130                 0.0184                 0.0396
 AlphaG Fr= 1--     -0.0009                 0.0027                -0.0033
 Gamma2 Fr= 1--     -0.4839                 0.2062                 0.0558
 Delta2 Fr= 1--      0.0115                 0.1775                 0.0386
 Raman1 Fr= 1--       3.221                  0.547                  1.882
 ROA1   Fr= 1--     -46.084                 25.477                  6.597
 CID1   Fr= 1--     -14.308                 46.571                  3.504
 Raman2 Fr= 1--       1.356                  0.221                  0.475
 ROA2   Fr= 1--     -11.705                  3.529                  1.032
 CID2   Fr= 1--      -8.635                 15.966                  2.171
 Raman3 Fr= 1--       2.711                  0.442                  0.950
 ROA3   Fr= 1--     -46.084                 25.477                  6.597
 CID3   Fr= 1--     -16.998                 57.636                  6.943
 RC180  Fr= 1--       0.683                  0.616                  0.009
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.00   0.02     0.00  -0.00  -0.03    -0.12  -0.04   0.08
     2   6     0.01  -0.01   0.04    -0.01   0.00   0.01    -0.03   0.01   0.08
     3   6    -0.01  -0.01   0.01    -0.01  -0.01   0.01     0.01   0.04   0.02
     4   8    -0.00   0.01  -0.05    -0.00   0.01  -0.06    -0.14  -0.08  -0.02
     5   8     0.03  -0.03   0.01    -0.00   0.03  -0.01    -0.22   0.10  -0.06
     6   7    -0.00  -0.00   0.02     0.00  -0.01   0.08     0.33  -0.01  -0.02
     7   8    -0.03  -0.01   0.00    -0.01  -0.01   0.03     0.17   0.01  -0.04
     8   1    -0.01  -0.03   0.04    -0.02   0.03   0.00    -0.03  -0.09   0.08
     9   1     0.09   0.02   0.02    -0.02  -0.06  -0.03    -0.07  -0.03   0.08
    10   1     0.01  -0.01   0.04     0.01   0.01  -0.07    -0.08  -0.05   0.09
    11   1     0.05  -0.01   0.04     0.08  -0.02   0.14    -0.31  -0.01   0.07
    12   1     0.27   0.03  -0.07     0.58  -0.00  -0.12     0.53  -0.03  -0.08
    13   1    -0.24   0.08  -0.18    -0.49   0.17  -0.33     0.40  -0.24  -0.14
    14   1    -0.35   0.68  -0.45     0.21  -0.34   0.24    -0.26   0.09  -0.07
                      7                      8                      9
                      A                      A                      A
 Frequencies --    366.3795               433.7003               528.3462
 Red. masses --      4.2161                 2.9260                 5.9745
 Frc consts  --      0.3334                 0.3243                 0.9826
 IR Inten    --      3.0786                 5.9329                 0.9175
 RamAct Fr= 1--      3.4028                 0.8127                 3.3494
  Dep-P Fr= 1--      0.1632                 0.3387                 0.7096
  Dep-U Fr= 1--      0.2806                 0.5060                 0.8301
 Alpha2 Fr= 1--      0.0509                 0.0074                 0.0023
 Beta2  Fr= 1--      0.1591                 0.0685                 0.4634
 AlphaG Fr= 1--      0.0007                -0.0045                -0.0093
 Gamma2 Fr= 1--     -0.1147                -0.2191                 0.0406
 Delta2 Fr= 1--     -0.0790                -0.0780                 0.0018
 Raman1 Fr= 1--      13.611                  3.251                 13.397
 ROA1   Fr= 1--     -13.543                -23.529                  3.953
 CID1   Fr= 1--      -0.995                 -7.238                  0.295
 Raman2 Fr= 1--       1.909                  0.822                  5.561
 ROA2   Fr= 1--      -2.122                 -4.634                  0.960
 CID2   Fr= 1--      -1.111                 -5.634                  0.173
 Raman3 Fr= 1--       3.819                  1.645                 11.122
 ROA3   Fr= 1--     -13.543                -23.529                  3.953
 CID3   Fr= 1--      -3.547                -14.305                  0.355
 RC180  Fr= 1--      -0.439                  0.012                  0.660
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.16   0.04   0.06    -0.00  -0.17   0.02    -0.09   0.09  -0.06
     2   6     0.00  -0.05  -0.13    -0.00  -0.03   0.21     0.03   0.17   0.09
     3   6     0.08  -0.03  -0.11     0.05   0.03   0.10     0.04  -0.21   0.04
     4   8     0.26   0.08  -0.00     0.08   0.07  -0.03     0.20  -0.13  -0.05
     5   8    -0.22   0.05  -0.04    -0.10   0.03  -0.04    -0.07  -0.01   0.00
     6   7    -0.07  -0.09   0.10    -0.13   0.05  -0.09     0.15   0.28  -0.01
     7   8     0.10  -0.04   0.06     0.10   0.01  -0.07    -0.26  -0.17   0.02
     8   1     0.16   0.03  -0.12    -0.01  -0.12   0.21     0.00   0.24   0.08
     9   1    -0.20   0.30   0.04     0.09  -0.57   0.06    -0.09  -0.15  -0.04
    10   1    -0.15  -0.02   0.30    -0.01  -0.07  -0.36    -0.23   0.16  -0.28
    11   1     0.46  -0.01  -0.01     0.17   0.03  -0.10     0.22  -0.15  -0.14
    12   1    -0.02  -0.28   0.11    -0.23   0.38  -0.10     0.03   0.39   0.02
    13   1    -0.15   0.09   0.17    -0.17  -0.02  -0.19     0.36   0.02  -0.00
    14   1    -0.32   0.09  -0.09    -0.01  -0.05   0.03    -0.06  -0.03   0.01
                     10                     11                     12
                      A                      A                      A
 Frequencies --    619.7246               734.6493               857.5215
 Red. masses --      3.5959                 7.0976                 1.3971
 Frc consts  --      0.8137                 2.2570                 0.6053
 IR Inten    --      5.5552                10.9788                77.2896
 RamAct Fr= 1--      0.8256                 5.2603                 0.6794
  Dep-P Fr= 1--      0.3957                 0.0609                 0.2072
  Dep-U Fr= 1--      0.5670                 0.1147                 0.3432
 Alpha2 Fr= 1--      0.0062                 0.1012                 0.0091
 Beta2  Fr= 1--      0.0780                 0.1006                 0.0389
 AlphaG Fr= 1--      0.0148                 0.0559                 0.0406
 Gamma2 Fr= 1--      0.5703                -0.3344                -0.2841
 Delta2 Fr= 1--      0.3314                 0.0584                -0.1200
 Raman1 Fr= 1--       3.303                 21.041                  2.718
 ROA1   Fr= 1--      65.360                -30.230                -31.110
 CID1   Fr= 1--      19.790                 -1.437                -11.447
 Raman2 Fr= 1--       0.936                  1.207                  0.466
 ROA2   Fr= 1--      11.037                 -8.492                 -5.858
 CID2   Fr= 1--      11.787                 -7.035                -12.560
 Raman3 Fr= 1--       1.873                  2.414                  0.933
 ROA3   Fr= 1--      65.360                -30.230                -31.110
 CID3   Fr= 1--      34.901                -12.521                -33.351
 RC180  Fr= 1--       0.134                 -0.771                 -0.314
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.15  -0.11    -0.04   0.05  -0.08     0.00  -0.02   0.02
     2   6    -0.19  -0.02   0.03     0.12  -0.01  -0.06    -0.08  -0.03   0.01
     3   6    -0.06  -0.05   0.26     0.35   0.10   0.36     0.03   0.02  -0.06
     4   8     0.04   0.13  -0.07     0.05  -0.25  -0.11     0.04  -0.04  -0.04
     5   8     0.06  -0.04   0.04    -0.09  -0.01   0.02     0.02  -0.00  -0.00
     6   7     0.02  -0.05  -0.00    -0.06  -0.13  -0.01    -0.07   0.07  -0.02
     7   8     0.11  -0.10  -0.11    -0.14   0.26  -0.07    -0.00   0.04   0.02
     8   1    -0.64  -0.04  -0.03    -0.30  -0.10  -0.10    -0.09  -0.06   0.01
     9   1    -0.09   0.31  -0.13    -0.17   0.24  -0.10     0.04  -0.05   0.02
    10   1    -0.05   0.11   0.07    -0.10   0.01   0.11     0.03  -0.02   0.00
    11   1     0.29   0.01  -0.01    -0.42  -0.01   0.12     0.07  -0.02   0.79
    12   1     0.06  -0.16   0.00    -0.10  -0.19   0.00     0.22  -0.19  -0.06
    13   1     0.22  -0.26   0.04    -0.18   0.11   0.06     0.34  -0.34   0.08
    14   1     0.09   0.00   0.03    -0.02   0.03   0.03     0.01  -0.00  -0.01
                     13                     14                     15
                      A                      A                      A
 Frequencies --    867.3571               884.7048               948.3948
 Red. masses --      2.3885                 1.6905                 1.4784
 Frc consts  --      1.0587                 0.7796                 0.7835
 IR Inten    --     35.4104                57.3580                49.2112
 RamAct Fr= 1--      7.3632                 3.2461                 0.2267
  Dep-P Fr= 1--      0.0882                 0.3219                 0.4761
  Dep-U Fr= 1--      0.1622                 0.4870                 0.6451
 Alpha2 Fr= 1--      0.1327                 0.0311                 0.0012
 Beta2  Fr= 1--      0.1990                 0.2635                 0.0244
 AlphaG Fr= 1--     -0.1056                 0.0598                -0.0044
 Gamma2 Fr= 1--     -0.9993                 0.6111                 0.0719
 Delta2 Fr= 1--     -0.6686                 0.2349                 0.1277
 Raman1 Fr= 1--      29.453                 12.984                  0.907
 ROA1   Fr= 1--    -117.328                 66.178                 10.990
 CID1   Fr= 1--      -3.984                  5.097                 12.118
 Raman2 Fr= 1--       2.388                  3.162                  0.293
 ROA2   Fr= 1--     -18.634                 12.787                  0.705
 CID2   Fr= 1--      -7.802                  4.044                  2.410
 Raman3 Fr= 1--       4.777                  6.324                  0.585
 ROA3   Fr= 1--    -117.328                 66.178                 10.990
 CID3   Fr= 1--     -24.563                 10.465                 18.785
 RC180  Fr= 1--      -0.676                 -0.026                  0.290
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.13   0.02    -0.04   0.13  -0.00     0.01  -0.06  -0.08
     2   6     0.11  -0.01  -0.14     0.08   0.05   0.05    -0.08   0.00   0.08
     3   6    -0.03  -0.04   0.14    -0.02  -0.01  -0.01    -0.00   0.02  -0.08
     4   8    -0.07   0.07  -0.04    -0.03   0.02  -0.02     0.04  -0.04  -0.00
     5   8    -0.06   0.01  -0.00     0.01  -0.01  -0.00    -0.01  -0.00   0.02
     6   7     0.03   0.12  -0.01     0.05  -0.14  -0.05     0.06  -0.04   0.00
     7   8     0.00  -0.07  -0.03     0.00  -0.02   0.01     0.00   0.03   0.02
     8   1     0.01   0.01  -0.15     0.18  -0.04   0.07    -0.25   0.22   0.04
     9   1    -0.01   0.16  -0.01    -0.03  -0.22   0.02     0.05   0.39  -0.11
    10   1     0.13  -0.22   0.30    -0.16   0.23  -0.34     0.04  -0.17   0.36
    11   1     0.20  -0.04   0.58     0.17  -0.05   0.66     0.05  -0.03   0.20
    12   1    -0.23   0.03   0.08    -0.36   0.10   0.04    -0.35   0.47   0.06
    13   1    -0.05   0.45   0.18    -0.14   0.15   0.00    -0.18   0.07  -0.15
    14   1     0.05   0.05   0.02    -0.12  -0.06  -0.02     0.24   0.12   0.04
                     16                     17                     18
                      A                      A                      A
 Frequencies --   1025.8044              1074.8673              1125.9706
 Red. masses --      2.7108                 3.1831                 1.3402
 Frc consts  --      1.6807                 2.1667                 1.0011
 IR Inten    --    150.0242                31.9500                 4.4723
 RamAct Fr= 1--      1.8195                 4.0844                 1.4921
  Dep-P Fr= 1--      0.3503                 0.5186                 0.7380
  Dep-U Fr= 1--      0.5189                 0.6830                 0.8492
 Alpha2 Fr= 1--      0.0160                 0.0184                 0.0003
 Beta2  Fr= 1--      0.1573                 0.4649                 0.2112
 AlphaG Fr= 1--      0.0210                -0.0188                 0.0017
 Gamma2 Fr= 1--      0.0243                 0.5963                 0.4364
 Delta2 Fr= 1--      0.2904                 0.4715                -0.2515
 Raman1 Fr= 1--       7.278                 16.338                  5.968
 ROA1   Fr= 1--      11.626                 72.334                 33.842
 CID1   Fr= 1--       1.597                  4.427                  5.670
 Raman2 Fr= 1--       1.888                  5.579                  2.534
 ROA2   Fr= 1--      -1.740                 10.539                 12.485
 CID2   Fr= 1--      -0.921                  1.889                  4.927
 Raman3 Fr= 1--       3.776                 11.159                  5.068
 ROA3   Fr= 1--      11.626                 72.334                 33.842
 CID3   Fr= 1--       3.079                  6.482                  6.677
 RC180  Fr= 1--       0.038                  0.366                  0.698
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10  -0.09   0.16     0.31   0.12   0.02     0.04  -0.03   0.04
     2   6    -0.17   0.05  -0.10    -0.13   0.00  -0.03     0.01   0.09  -0.04
     3   6    -0.04   0.04   0.03    -0.02   0.01  -0.04     0.06  -0.03   0.01
     4   8     0.07  -0.07  -0.02     0.03  -0.03  -0.00    -0.02   0.04   0.00
     5   8     0.16   0.06  -0.04    -0.19  -0.09   0.05     0.00   0.01   0.00
     6   7     0.09   0.00  -0.00     0.05   0.01  -0.01    -0.03  -0.06   0.01
     7   8     0.00   0.04  -0.00     0.00   0.02   0.01    -0.01  -0.03  -0.00
     8   1    -0.32  -0.07  -0.10    -0.37  -0.10  -0.06    -0.09   0.58  -0.09
     9   1    -0.18  -0.34   0.16     0.18  -0.26   0.05    -0.27  -0.04   0.01
    10   1     0.14  -0.05  -0.11     0.51   0.15  -0.25     0.28  -0.07   0.02
    11   1     0.08  -0.07  -0.03     0.01  -0.02  -0.04    -0.08   0.06   0.06
    12   1    -0.27  -0.01   0.09    -0.11  -0.14   0.05     0.04   0.25  -0.05
    13   1    -0.23   0.46   0.06    -0.10   0.28   0.06     0.06  -0.41  -0.18
    14   1    -0.35  -0.20  -0.09    -0.26  -0.15   0.07    -0.38  -0.18  -0.03
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1141.7743              1217.2927              1247.0755
 Red. masses --      2.2414                 2.2923                 1.7202
 Frc consts  --      1.7216                 2.0013                 1.5762
 IR Inten    --     33.6101                14.6259                 3.0055
 RamAct Fr= 1--      2.5443                 3.7941                 4.5858
  Dep-P Fr= 1--      0.7465                 0.2859                 0.4578
  Dep-U Fr= 1--      0.8549                 0.4447                 0.6281
 Alpha2 Fr= 1--      0.0001                 0.0406                 0.0272
 Beta2  Fr= 1--      0.3625                 0.2812                 0.4800
 AlphaG Fr= 1--      0.0018                 0.0151                 0.0133
 Gamma2 Fr= 1--      0.2765                -1.2391                 2.1819
 Delta2 Fr= 1--     -0.0373                -0.2446                -0.4041
 Raman1 Fr= 1--      10.177                 15.177                 18.343
 ROA1   Fr= 1--      25.346               -126.782                196.533
 CID1   Fr= 1--       2.491                 -8.354                 10.714
 Raman2 Fr= 1--       4.350                  3.375                  5.760
 ROA2   Fr= 1--       6.934                -27.781                 55.598
 CID2   Fr= 1--       1.594                 -8.232                  9.652
 Raman3 Fr= 1--       8.700                  6.749                 11.521
 ROA3   Fr= 1--      25.346               -126.782                196.533
 CID3   Fr= 1--       2.913                -18.785                 17.059
 RC180  Fr= 1--       0.710                 -0.111                  0.256
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.09   0.06    -0.03  -0.01  -0.00    -0.01   0.03   0.04
     2   6    -0.05   0.27  -0.00    -0.03  -0.00   0.06    -0.16  -0.05  -0.11
     3   6    -0.00  -0.01   0.02     0.24  -0.08  -0.10     0.10  -0.03   0.06
     4   8     0.02   0.00  -0.01    -0.05   0.12   0.02    -0.01   0.03  -0.01
     5   8    -0.03   0.00  -0.01     0.02   0.01  -0.00    -0.01  -0.02  -0.01
     6   7    -0.02  -0.10  -0.07     0.01   0.02  -0.01     0.03   0.01   0.05
     7   8    -0.02  -0.03  -0.00    -0.03  -0.08   0.01    -0.01  -0.01  -0.01
     8   1    -0.01   0.14   0.01    -0.49  -0.36   0.02     0.63  -0.00  -0.01
     9   1     0.48  -0.02   0.10    -0.06   0.01  -0.01     0.29  -0.12   0.07
    10   1    -0.36  -0.04   0.10    -0.06  -0.01   0.02    -0.02   0.07  -0.10
    11   1     0.00   0.01  -0.02    -0.51   0.32   0.11    -0.21   0.13   0.09
    12   1     0.09  -0.48  -0.06    -0.05  -0.18   0.03    -0.15   0.38   0.05
    13   1     0.01   0.03   0.08    -0.12   0.29   0.07    -0.06  -0.17  -0.17
    14   1     0.43   0.22   0.04    -0.03  -0.03  -0.00     0.31   0.17   0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1302.5053              1380.3463              1397.6192
 Red. masses --      1.2873                 1.2487                 1.2944
 Frc consts  --      1.2868                 1.4018                 1.4897
 IR Inten    --      9.3254                22.5151                 4.5204
 RamAct Fr= 1--      3.0008                 1.3358                 4.3766
  Dep-P Fr= 1--      0.7079                 0.7478                 0.7488
  Dep-U Fr= 1--      0.8290                 0.8557                 0.8564
 Alpha2 Fr= 1--      0.0022                 0.0000                 0.0001
 Beta2  Fr= 1--      0.4146                 0.1905                 0.6247
 AlphaG Fr= 1--      0.0018                -0.0016                -0.0005
 Gamma2 Fr= 1--     -0.8668                -1.2112                 1.3796
 Delta2 Fr= 1--      0.0114                -0.4298                -0.7325
 Raman1 Fr= 1--      12.003                  5.343                 17.506
 ROA1   Fr= 1--     -82.851               -130.030                108.997
 CID1   Fr= 1--      -6.902                -24.336                  6.226
 Raman2 Fr= 1--       4.975                  2.286                  7.496
 ROA2   Fr= 1--     -20.895                -25.630                 38.970
 CID2   Fr= 1--      -4.200                -11.211                  5.199
 Raman3 Fr= 1--       9.950                  4.572                 14.992
 ROA3   Fr= 1--     -82.851               -130.030                108.997
 CID3   Fr= 1--      -8.327                -28.439                  7.270
 RC180  Fr= 1--       0.658                  0.711                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.02  -0.08    -0.07   0.05   0.07    -0.02   0.03   0.01
     2   6    -0.07   0.07   0.07     0.04   0.02   0.01    -0.03  -0.13   0.05
     3   6     0.00  -0.00   0.02     0.00  -0.01  -0.01     0.01  -0.00   0.01
     4   8     0.02   0.00  -0.01    -0.01  -0.00   0.00     0.01   0.01  -0.00
     5   8     0.01  -0.00   0.01    -0.02  -0.05  -0.05     0.00  -0.00  -0.01
     6   7     0.00  -0.01  -0.04    -0.01  -0.01  -0.00     0.01   0.02  -0.06
     7   8    -0.00  -0.01  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     8   1     0.60  -0.14   0.18    -0.15  -0.01  -0.01     0.08   0.83   0.00
     9   1    -0.16   0.16  -0.11    -0.31  -0.15   0.07     0.04  -0.12   0.04
    10   1     0.51  -0.15   0.14     0.62  -0.02  -0.01    -0.07   0.03   0.03
    11   1    -0.10   0.06   0.03     0.07  -0.04  -0.02    -0.14   0.08   0.01
    12   1     0.03  -0.27  -0.01     0.02  -0.01  -0.01     0.04  -0.30  -0.03
    13   1    -0.03   0.17   0.08     0.01  -0.01   0.01    -0.03   0.32   0.13
    14   1    -0.22  -0.12  -0.01     0.58   0.31  -0.02     0.08   0.04   0.00
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1404.1438              1414.0166              1503.7299
 Red. masses --      1.2334                 1.6221                 1.0844
 Frc consts  --      1.4328                 1.9109                 1.4448
 IR Inten    --     17.2006               405.9445                 3.0156
 RamAct Fr= 1--      1.3789                 3.1093                 4.1331
  Dep-P Fr= 1--      0.5149                 0.2524                 0.7496
  Dep-U Fr= 1--      0.6798                 0.4030                 0.8569
 Alpha2 Fr= 1--      0.0063                 0.0366                 0.0000
 Beta2  Fr= 1--      0.1562                 0.2089                 0.5903
 AlphaG Fr= 1--      0.0112                -0.0304                -0.0004
 Gamma2 Fr= 1--      0.7212                 0.1492                 0.1690
 Delta2 Fr= 1--      0.0018                 0.1646                 0.0960
 Raman1 Fr= 1--       5.516                 12.437                 16.532
 ROA1   Fr= 1--      69.292                 19.585                 19.292
 CID1   Fr= 1--      12.563                  1.575                  1.167
 Raman2 Fr= 1--       1.875                  2.506                  7.083
 ROA2   Fr= 1--      17.294                  2.263                  3.287
 CID2   Fr= 1--       9.225                  0.903                  0.464
 Raman3 Fr= 1--       3.749                  5.013                 14.167
 ROA3   Fr= 1--      69.292                 19.585                 19.292
 CID3   Fr= 1--      18.480                  3.907                  1.362
 RC180  Fr= 1--       0.360                 -0.194                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.12   0.03  -0.04    -0.00  -0.00  -0.01     0.02   0.06  -0.05
     2   6     0.05  -0.00  -0.02    -0.06  -0.00   0.02    -0.00   0.01  -0.01
     3   6     0.00  -0.01  -0.01     0.15  -0.06  -0.03    -0.00  -0.00   0.00
     4   8    -0.01   0.00   0.00    -0.12   0.01   0.02     0.00  -0.00   0.00
     5   8     0.00   0.00   0.03     0.01   0.00   0.00     0.00   0.01  -0.00
     6   7    -0.01  -0.00   0.00     0.01   0.01  -0.01     0.00  -0.00   0.01
     7   8     0.00   0.00   0.00    -0.01   0.06   0.00     0.00   0.00  -0.00
     8   1    -0.16   0.05  -0.05     0.08   0.07   0.03     0.03  -0.07   0.00
     9   1     0.83  -0.14   0.05     0.01   0.01  -0.01    -0.14  -0.67   0.01
    10   1     0.41  -0.09   0.11    -0.02  -0.01   0.02    -0.17  -0.12   0.69
    11   1     0.02  -0.01  -0.01     0.82  -0.46  -0.18    -0.00   0.00   0.00
    12   1     0.01   0.04  -0.01    -0.01  -0.13   0.01    -0.03   0.01   0.01
    13   1     0.01  -0.03  -0.01     0.01   0.03  -0.00    -0.01  -0.05  -0.04
    14   1    -0.17  -0.11   0.03    -0.04  -0.02  -0.00    -0.01   0.00  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1667.1986              1834.6990              3030.5293
 Red. masses --      1.0888                 9.7187                 1.0786
 Frc consts  --      1.7831                19.2748                 5.8363
 IR Inten    --     37.1995               313.3596                 2.6443
 RamAct Fr= 1--      3.2430                11.7269               173.3241
  Dep-P Fr= 1--      0.5911                 0.2737                 0.1477
  Dep-U Fr= 1--      0.7430                 0.4298                 0.2574
 Alpha2 Fr= 1--      0.0096                 0.1299                 2.6951
 Beta2  Fr= 1--      0.4016                 0.8400                 7.4348
 AlphaG Fr= 1--      0.0018                 0.0799                -0.3720
 Gamma2 Fr= 1--      0.0198                 0.4214                -1.3933
 Delta2 Fr= 1--     -0.1299                 0.1077                 1.3051
 Raman1 Fr= 1--      12.972                 46.908                693.297
 ROA1   Fr= 1--      -2.258                 43.898                -91.991
 CID1   Fr= 1--      -0.174                  0.936                 -0.133
 Raman2 Fr= 1--       4.819                 10.080                 89.218
 ROA2   Fr= 1--       1.514                  9.252                -43.879
 CID2   Fr= 1--       0.314                  0.918                 -0.492
 Raman3 Fr= 1--       9.638                 20.160                178.436
 ROA3   Fr= 1--      -2.258                 43.898                -91.991
 CID3   Fr= 1--      -0.234                  2.177                 -0.516
 RC180  Fr= 1--       0.486                 -0.140                 -0.485
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.01   0.01  -0.01    -0.00  -0.01   0.03
     2   6    -0.03   0.01  -0.01    -0.02  -0.04   0.01     0.01  -0.00  -0.07
     3   6     0.01  -0.01  -0.00     0.18   0.70  -0.01     0.00  -0.00  -0.00
     4   8    -0.00   0.00   0.00    -0.04  -0.06   0.01    -0.00  -0.00  -0.00
     5   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     6   7    -0.03  -0.06  -0.02    -0.00  -0.01  -0.00    -0.00  -0.00   0.00
     7   8    -0.00   0.00   0.00    -0.11  -0.43   0.00     0.00   0.00   0.00
     8   1     0.02  -0.03   0.00     0.01   0.03   0.00    -0.11   0.06   0.86
     9   1     0.00  -0.03  -0.00     0.03  -0.02  -0.01     0.04  -0.04  -0.46
    10   1    -0.01  -0.00   0.03     0.06   0.02   0.02     0.02   0.14   0.04
    11   1     0.02  -0.01  -0.02     0.47  -0.20  -0.11    -0.00   0.00  -0.00
    12   1     0.41   0.54  -0.21    -0.00   0.01   0.00    -0.01  -0.00  -0.02
    13   1     0.24   0.33   0.57     0.02  -0.03   0.01     0.01  -0.00  -0.01
    14   1    -0.00  -0.01   0.00    -0.00   0.00  -0.01    -0.00   0.00   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --   3045.1804              3096.5599              3440.3785
 Red. masses --      1.0647                 1.1058                 1.0642
 Frc consts  --      5.8170                 6.2473                 7.4215
 IR Inten    --     27.2891                17.6502               259.9799
 RamAct Fr= 1--     33.5210                48.2642                64.6041
  Dep-P Fr= 1--      0.0684                 0.5321                 0.0855
  Dep-U Fr= 1--      0.1281                 0.6946                 0.1576
 Alpha2 Fr= 1--      0.6336                 0.2034                 1.1717
 Beta2  Fr= 1--      0.7158                 5.5872                 1.6971
 AlphaG Fr= 1--     -0.0788                -0.2150                 0.1473
 Gamma2 Fr= 1--      1.0953                -3.9274                 0.4812
 Delta2 Fr= 1--      1.7785                -2.3617                 1.2880
 Raman1 Fr= 1--     134.084                193.057                258.417
 ROA1   Fr= 1--     162.064               -452.603                 87.408
 CID1   Fr= 1--       1.209                 -2.344                  0.338
 Raman2 Fr= 1--       8.590                 67.047                 20.365
 ROA2   Fr= 1--      12.060                -75.363                  1.244
 CID2   Fr= 1--       1.404                 -1.124                  0.061
 Raman3 Fr= 1--      17.179                134.093                 40.730
 ROA3   Fr= 1--     162.064               -452.603                 87.408
 CID3   Fr= 1--       9.434                 -3.375                  2.146
 RC180  Fr= 1--      -0.744                  0.389                 -0.685
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03  -0.05    -0.00  -0.07  -0.06     0.00  -0.00   0.00
     2   6     0.00  -0.00  -0.04     0.00  -0.00  -0.01    -0.00   0.00   0.00
     3   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.01  -0.00
     4   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.03  -0.05   0.00
     5   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   7    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     8   1    -0.06   0.03   0.46    -0.01   0.01   0.13    -0.00  -0.00  -0.00
     9   1    -0.06   0.07   0.72    -0.04   0.03   0.49     0.00   0.00  -0.00
    10   1    -0.07  -0.48  -0.14     0.11   0.82   0.21     0.00  -0.01  -0.00
    11   1     0.00   0.00  -0.00     0.00   0.01  -0.00     0.42   0.90  -0.04
    12   1    -0.00   0.01  -0.00    -0.00   0.00  -0.00     0.03   0.01   0.09
    13   1     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.05   0.03  -0.05
    14   1    -0.00  -0.00  -0.01    -0.01  -0.01  -0.02    -0.00   0.00   0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --   3491.7203              3578.6627              3808.9110
 Red. masses --      1.0540                 1.0888                 1.0666
 Frc consts  --      7.5712                 8.2159                 9.1169
 IR Inten    --      0.8370                10.7196                36.4128
 RamAct Fr= 1--     77.1428                52.7658                72.1840
  Dep-P Fr= 1--      0.0918                 0.4947                 0.1844
  Dep-U Fr= 1--      0.1682                 0.6619                 0.3114
 Alpha2 Fr= 1--      1.3779                 0.2670                 1.0214
 Beta2  Fr= 1--      2.1623                 5.8212                 3.7461
 AlphaG Fr= 1--     -0.0702                 0.0583                 0.4705
 Gamma2 Fr= 1--     -2.2179                 1.0530                 2.2004
 Delta2 Fr= 1--     -0.8319                -0.6380                 0.4902
 Raman1 Fr= 1--     308.571                211.063                288.736
 ROA1   Fr= 1--    -239.543                 80.674                226.921
 CID1   Fr= 1--      -0.776                  0.382                  0.786
 Raman2 Fr= 1--      25.947                 69.855                 44.953
 ROA2   Fr= 1--     -46.575                 30.377                 48.887
 CID2   Fr= 1--      -1.795                  0.435                  1.088
 Raman3 Fr= 1--      51.894                139.710                 89.906
 ROA3   Fr= 1--    -239.543                 80.674                226.921
 CID3   Fr= 1--      -4.616                  0.577                  2.524
 RC180  Fr= 1--      -0.664                  0.324                 -0.377
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     4   8     0.00   0.01  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     5   8     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.02  -0.02  -0.05
     6   7    -0.04  -0.02  -0.04    -0.03  -0.03   0.07     0.00   0.00  -0.00
     7   8     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     8   1    -0.00   0.00   0.01     0.00  -0.00  -0.01     0.00  -0.00  -0.00
     9   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.01
    10   1    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.01   0.01
    11   1    -0.05  -0.10   0.00    -0.01  -0.03   0.00     0.00  -0.00  -0.00
    12   1     0.24   0.10   0.85    -0.14  -0.05  -0.40     0.00   0.00   0.00
    13   1     0.26   0.21  -0.28     0.59   0.44  -0.53    -0.00  -0.00   0.00
    14   1     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.29   0.41   0.86

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  8 and mass  15.99491
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  7 and mass  14.00307
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Molecular mass:   105.04259 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   393.69852 981.440281309.20589
           X            0.99976  -0.02150  -0.00474
           Y            0.02150   0.99977   0.00021
           Z            0.00474  -0.00031   0.99999
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.22000     0.08825     0.06616
 Rotational constants (GHZ):           4.58407     1.83887     1.37850
 Zero-point vibrational energy     296833.3 (Joules/Mol)
                                   70.94486 (Kcal/Mol)
 Warning -- explicit consideration of  10 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     70.04   162.81   286.12   312.39   372.54
          (Kelvin)            460.60   527.14   624.00   760.17   891.65
                             1057.00  1233.78  1247.93  1272.89  1364.53
                             1475.90  1546.49  1620.02  1642.76  1751.41
                             1794.26  1874.01  1986.01  2010.86  2020.25
                             2034.45  2163.53  2398.73  2639.72  4360.26
                             4381.34  4455.26  4949.94  5023.81  5148.90
                             5480.17
 
 Zero-point correction=                           0.113058 (Hartree/Particle)
 Thermal correction to Energy=                    0.120889
 Thermal correction to Enthalpy=                  0.121833
 Thermal correction to Gibbs Free Energy=         0.080483
 Sum of electronic and zero-point Energies=           -399.038862
 Sum of electronic and thermal Energies=              -399.031031
 Sum of electronic and thermal Enthalpies=            -399.030087
 Sum of electronic and thermal Free Energies=         -399.071437
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   75.859             27.099             87.029
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             39.865
 Rotational               0.889              2.981             27.716
 Vibrational             74.081             21.137             19.448
 Vibration     1          0.595              1.978              4.870
 Vibration     2          0.607              1.939              3.214
 Vibration     3          0.637              1.841              2.144
 Vibration     4          0.646              1.815              1.983
 Vibration     5          0.668              1.748              1.669
 Vibration     6          0.706              1.635              1.309
 Vibration     7          0.739              1.541              1.095
 Vibration     8          0.794              1.397              0.847
 Vibration     9          0.883              1.187              0.591
 Vibration    10          0.980              0.990              0.417
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.956338D-37        -37.019388        -85.240292
 Total V=0       0.962845D+15         14.983556         34.500914
 Vib (Bot)       0.887659D-50        -50.051754       -115.248422
 Vib (Bot)    1  0.424689D+01          0.628071          1.446186
 Vib (Bot)    2  0.180875D+01          0.257378          0.592634
 Vib (Bot)    3  0.100312D+01          0.001352          0.003113
 Vib (Bot)    4  0.912107D+00         -0.039954         -0.091998
 Vib (Bot)    5  0.750541D+00         -0.124626         -0.286961
 Vib (Bot)    6  0.587147D+00         -0.231253         -0.532480
 Vib (Bot)    7  0.498137D+00         -0.302651         -0.696880
 Vib (Bot)    8  0.400586D+00         -0.397304         -0.914826
 Vib (Bot)    9  0.303163D+00         -0.518324         -1.193485
 Vib (Bot)   10  0.236045D+00         -0.627005         -1.443732
 Vib (V=0)       0.893698D+02          1.951191          4.492783
 Vib (V=0)    1  0.477622D+01          0.679084          1.563649
 Vib (V=0)    2  0.237658D+01          0.375953          0.865664
 Vib (V=0)    3  0.162082D+01          0.209736          0.482934
 Vib (V=0)    4  0.154016D+01          0.187567          0.431888
 Vib (V=0)    5  0.140184D+01          0.146698          0.337784
 Vib (V=0)    6  0.127119D+01          0.104212          0.239957
 Vib (V=0)    7  0.120579D+01          0.081272          0.187136
 Vib (V=0)    8  0.114068D+01          0.057163          0.131623
 Vib (V=0)    9  0.108473D+01          0.035321          0.081330
 Vib (V=0)   10  0.105292D+01          0.022394          0.051564
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.423157D+08          7.626502         17.560670
 Rotational      0.254603D+06          5.405863         12.447460
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3       3  3 3          333                                       1     1    11111  1 11 11 11                                  
     8       5  4 4          000                                       8     6    54433  3 22 11 00  9888   7   6  5  4 3 3 221  1   
     0       7  9 4          943                                       3     6    01098  0 41 42 72  4865   3   2  2  3 6 2 519  1 4 
     9       9  2 0          751                                       5     7    44480  3 77 26 56  8578   5   0  8  4 6 0 979  3 9 
 
     X       X  X X          XXX                                       X     X    XXXXX  X XX XX XX  XXXX   X   X  X  X X X XXX  X X 
     X            X                                                    X     X     X          X  XX  XXXX                    XX      
                  X                                                    X           X              X   X X                    X       
                  X                                                    X           X              X     X                    X       
                  X                                                    X           X              X                          X       
                  X                                                    X           X              X                                  
                  X                                                    X           X              X                                  
                  X                                                    X           X                                                 
                  X                                                    X           X                                                 
                  X                                                    X           X                                                 
                  X                                                    X           X                                                 
                  X                                                    X           X                                                 
                  X                                                    X           X                                                 
                                                                       X           X                                                 
                                                                       X           X                                                 
                                                                                   X                                                 
                                                                                   X                                                 
                                                                                   X                                                 
                                                                                   X                                                 
                                                                                   X                                                 
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000026942    0.000003862    0.000021427
      2        6          -0.000045838    0.000013748   -0.000034253
      3        6           0.000030767    0.000016217   -0.000001765
      4        8           0.000000747    0.000007010    0.000001110
      5        8          -0.000012304   -0.000029752    0.000015538
      6        7           0.000004648   -0.000016981    0.000010314
      7        8          -0.000004295   -0.000032921   -0.000000275
      8        1           0.000010396   -0.000005835    0.000000750
      9        1          -0.000003924    0.000005373   -0.000000980
     10        1           0.000001209    0.000000431    0.000001253
     11        1          -0.000017386    0.000012429    0.000004674
     12        1           0.000014459    0.000005500   -0.000000056
     13        1          -0.000002209    0.000007324   -0.000003866
     14        1          -0.000003211    0.000013594   -0.000013872
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000045838 RMS     0.000015502
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.656795D+02  0.177344D+00 -0.161999D+01
      2   0.177344D+00  0.646102D+02  0.383437D+00
      3  -0.161999D+01  0.383437D+00  0.488166D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.896414D-01 -0.183311D+01 -0.160984D+01
      2   0.147570D+00 -0.497632D+00  0.131554D+02
      3   0.510565D+01  0.521302D+01  0.151251D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.231836D+02 -0.244126D+01 -0.221539D+01
      2  -0.187735D+02  0.308566D+01  0.709639D+00
      3  -0.441007D+01 -0.644403D+00  0.150575D+01
      4   0.420938D+01 -0.113539D+02 -0.153435D+01
      5  -0.289838D+01 -0.400361D+01  0.286977D+02
      6  -0.133651D+01 -0.346326D+00  0.626067D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.218142D+00 -0.205143D+01  0.109930D+01 -0.329633D+01  0.148368D+01
      2  -0.205143D+01  0.266047D+01 -0.302609D+00  0.148368D+01  0.467799D+01
      3   0.109930D+01 -0.302609D+00  0.193015D+01 -0.374712D+00  0.131088D+01
                 6             7             8             9            10 
      1  -0.374712D+00  0.191960D+01 -0.600671D+00  0.101062D+01  0.428692D+00
      2   0.131088D+01 -0.600671D+00  0.172648D+01 -0.813272D-01  0.327495D+01
      3  -0.354051D+00  0.101062D+01 -0.813272D-01 -0.771557D+01 -0.102461D+01
                11            12            13            14            15 
      1   0.327495D+01 -0.102461D+01  0.297673D+01 -0.313965D+00  0.410544D-01
      2  -0.183826D+01  0.559688D+00 -0.313965D+00 -0.304477D+01 -0.827703D+00
      3   0.559688D+00 -0.745505D+00  0.410544D-01 -0.827703D+00  0.943910D+00
                16            17            18            19            20 
      1  -0.109835D+01  0.104691D+01 -0.121683D+01 -0.258450D+01 -0.169764D+01
      2   0.104691D+01 -0.137345D+01  0.407266D+00 -0.169764D+01  0.139976D+01
      3  -0.121683D+01  0.407266D+00  0.740140D+01  0.684501D-01  0.945626D-01
                21            22            23            24            25 
      1   0.684501D-01 -0.106521D+00  0.191093D+01  0.256274D+00 -0.620499D+00
      2   0.945626D-01  0.191093D+01  0.579607D+01  0.926914D-01  0.250140D+00
      3  -0.612619D+00  0.256274D+00  0.926914D-01  0.388300D+00 -0.200775D+00
                26            27            28            29            30 
      1   0.250140D+00 -0.200775D+00 -0.805883D+01  0.154255D+01  0.545987D+00
      2   0.531951D+00  0.177262D+00  0.154255D+01 -0.264765D+01 -0.180832D+00
      3   0.177262D+00 -0.435196D+00  0.545987D+00 -0.180832D+00 -0.855547D+00
                31            32            33            34            35 
      1  -0.165271D+01 -0.357142D+01  0.221398D-01  0.141566D+01 -0.157406D+00
      2  -0.357142D+01 -0.452533D+00  0.238868D+00 -0.157406D+00  0.173558D+00
      3   0.221398D-01  0.238868D+00  0.507956D+00 -0.172435D+01  0.129051D+01
                36            37            38            39            40 
      1  -0.172435D+01  0.737675D+01  0.742040D+00  0.937214D+00  0.270335D+01
      2   0.129051D+01  0.742040D+00  0.953893D-01 -0.369310D+00  0.843722D+00
      3   0.878717D+00  0.937214D+00 -0.369310D+00 -0.132825D+01 -0.725317D+00
                41            42            43            44            45 
      1   0.843722D+00 -0.725317D+00  0.243223D+01 -0.473470D+00 -0.612452D+00
      2   0.100703D+01  0.294278D+00 -0.473470D+00  0.843735D+00  0.132593D+01
      3   0.294278D+00  0.171203D+01 -0.612452D+00  0.132593D+01  0.408497D+01
                46            47            48            49            50 
      1  -0.208271D+01 -0.179505D+01  0.100772D+01 -0.115076D+01 -0.173986D+01
      2  -0.179505D+01 -0.167270D+01  0.100331D+00 -0.173986D+01  0.515141D+01
      3   0.100772D+01  0.100331D+00 -0.216301D+01  0.384463D+00  0.686825D+00
                51            52            53            54            55 
      1   0.384463D+00  0.115804D+01  0.406253D+00 -0.227604D+01 -0.214171D+01
      2   0.686825D+00  0.406253D+00  0.746667D+00 -0.794544D+00 -0.330070D+01
      3  -0.798778D+00 -0.227604D+01 -0.794544D+00 -0.384440D+01 -0.949220D-01
                56            57            58            59            60 
      1  -0.330070D+01 -0.949220D-01 -0.403112D+01 -0.252877D+01 -0.942032D-01
      2  -0.277228D+01 -0.213255D+00 -0.252877D+01 -0.129081D+02 -0.147010D+00
      3  -0.213255D+00 -0.260396D+00 -0.942032D-01 -0.147010D+00 -0.229299D+01
                61            62            63            64            65 
      1  -0.605352D-01 -0.272558D-01 -0.109562D+01  0.367169D+00 -0.542279D+00
      2  -0.272558D-01 -0.209783D-01 -0.315959D+01 -0.542279D+00  0.448758D+00
      3  -0.109562D+01 -0.315959D+01 -0.456195D-01 -0.117407D+01 -0.446804D-01
                66            67            68            69            70 
      1  -0.117407D+01 -0.109667D+01  0.347316D+00  0.135946D+00 -0.175316D+01
      2  -0.446804D-01  0.347316D+00  0.427950D+00 -0.113501D+01 -0.179710D+00
      3   0.107269D+01  0.135946D+00 -0.113501D+01 -0.547232D+00  0.917128D+00
                71            72            73            74            75 
      1  -0.179710D+00  0.917128D+00  0.193704D-01  0.241744D+00  0.995179D+00
      2  -0.147239D+01 -0.630624D-01  0.241744D+00 -0.311399D+00  0.829837D-01
      3  -0.630624D-01 -0.865967D+01  0.995179D+00  0.829837D-01 -0.703714D+00
                76            77            78            79            80 
      1   0.872552D+00 -0.149451D+00 -0.648709D-02  0.166420D+01 -0.188837D+00
      2  -0.149451D+00 -0.461169D+00  0.101524D+01 -0.188837D+00  0.129820D+01
      3  -0.648709D-02  0.101524D+01  0.640327D+00  0.169412D+00 -0.618539D+00
                81            82            83            84            85 
      1   0.169412D+00 -0.735030D+00 -0.932922D+00 -0.397631D+00 -0.147810D+01
      2  -0.618539D+00 -0.932922D+00 -0.405571D+00  0.508033D-01  0.604042D-02
      3   0.868435D+01 -0.397631D+00  0.508033D-01 -0.239999D+00  0.203956D-01
                86            87            88            89            90 
      1   0.604042D-02  0.203956D-01 -0.100347D+01  0.816524D-01 -0.135825D+00
      2  -0.834522D+01 -0.538430D+00  0.816524D-01 -0.130551D+01 -0.114294D+01
      3  -0.538430D+00 -0.109328D+01 -0.135825D+00 -0.114294D+01  0.109798D+00
                91            92            93            94            95 
      1   0.226163D+01  0.176912D+01 -0.261415D+00  0.427106D+01  0.274115D+00
      2   0.176912D+01  0.678143D+00  0.932270D-01  0.274115D+00  0.454204D+01
      3  -0.261415D+00  0.932270D-01 -0.398885D+00 -0.225804D+00  0.145337D+00
                96            97            98            99           100 
      1  -0.225804D+00 -0.430911D+00 -0.121129D+00 -0.545952D+00  0.414113D+00
      2   0.145337D+00 -0.121129D+00 -0.736858D-01  0.525625D+00  0.808120D+00
      3   0.814188D+00 -0.545952D+00  0.525625D+00  0.123115D+00  0.788438D+00
               101           102           103           104           105 
      1   0.808120D+00  0.788438D+00  0.700595D+00  0.418741D+00  0.457512D+00
      2   0.730364D+00  0.758197D+00  0.418741D+00  0.114881D+01  0.760260D+00
      3   0.758197D+00  0.129569D+01  0.457512D+00  0.760260D+00  0.825126D+00
               106           107           108           109           110 
      1   0.170450D+01  0.587263D+00  0.167522D+01  0.272334D+01  0.245834D+01
      2   0.587263D+00  0.230978D+01  0.189746D+01  0.245834D+01  0.295617D+01
      3   0.167522D+01  0.189746D+01  0.571626D+01 -0.113507D+01 -0.975586D+00
               111           112           113           114           115 
      1  -0.113507D+01  0.263798D+01  0.208515D+01 -0.829413D+00 -0.215128D+01
      2  -0.975586D+00  0.208515D+01  0.331639D+01 -0.972863D+00 -0.132604D+01
      3   0.141239D+01 -0.829413D+00 -0.972863D+00  0.109551D+01  0.140050D+01
               116           117           118           119           120 
      1  -0.132604D+01  0.140050D+01  0.222985D+01 -0.516845D+00 -0.135456D+01
      2  -0.207798D+01  0.145207D+01 -0.516845D+00  0.678810D+00  0.346479D+00
      3   0.145207D+01 -0.162389D+01 -0.135456D+01  0.346479D+00  0.159700D+01
               121           122           123           124           125 
      1  -0.135005D+01  0.933761D+00  0.938150D+00 -0.317602D+01  0.702305D+00
      2   0.933761D+00 -0.855923D+00 -0.923365D+00  0.702305D+00 -0.130637D+01
      3   0.938150D+00 -0.923365D+00 -0.184101D+01  0.263498D+01 -0.121613D+01
               126 
      1   0.263498D+01
      2  -0.121613D+01
      3  -0.467426D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.185655D+01  0.425333D+00  0.121005D+01 -0.141983D+01  0.713465D+01
      2   0.179498D+01 -0.205455D+00  0.150217D+01 -0.110261D+01  0.459610D+00
      3   0.237861D+01  0.523476D+00 -0.690094D+00  0.668408D+01 -0.843559D+01
                 6             7             8             9            10 
      1  -0.177970D+01  0.168300D+00  0.214487D+01 -0.620323D+01 -0.140741D+01
      2  -0.628127D+00 -0.319717D+01  0.588348D+00 -0.717186D+01  0.282723D+01
      3  -0.896570D+00 -0.189538D+01 -0.185799D+01 -0.343585D+00  0.928273D+00
                11            12            13            14            15 
      1   0.699777D+00 -0.689570D+00  0.561490D+00  0.109094D+00 -0.697708D+00
      2  -0.705157D+00  0.343674D+01  0.195753D+01 -0.173869D+01  0.120086D+01
      3  -0.559091D+01  0.581915D+00 -0.736245D+00  0.126381D+01  0.933201D+00
                16            17            18            19            20 
      1  -0.116055D+01  0.464526D+01  0.310457D-01  0.835615D+00  0.793684D+00
      2  -0.312060D+01  0.349727D+00  0.105225D+01 -0.536280D+01 -0.115817D+00
      3  -0.371287D+00  0.979298D+00  0.565455D+00 -0.548330D+01 -0.174825D+00
                21            22            23            24            25 
      1   0.511345D+00  0.173947D+01 -0.353144D+00  0.872662D+01 -0.169310D+00
      2  -0.517903D+01 -0.792420D+00  0.117574D+01 -0.210879D+01 -0.186871D+02
      3  -0.261023D+00  0.732080D+00  0.940753D+01 -0.166239D+01  0.177375D+01
                26            27            28            29            30 
      1   0.935410D+01  0.586921D+00 -0.914026D+00 -0.924444D+00  0.262605D+01
      2  -0.205488D+01  0.388949D+01  0.532962D+00  0.290187D+00  0.734155D+01
      3  -0.207278D+01  0.946663D+00 -0.560577D+01 -0.148922D+02  0.175262D+00
                31            32            33            34            35 
      1  -0.536967D+00 -0.692830D+00 -0.386478D+01  0.757982D+00  0.209679D+01
      2   0.939322D+00 -0.257773D+00 -0.615282D+00  0.560887D+01 -0.900516D+00
      3  -0.111037D+02 -0.756238D+01  0.563652D+00  0.438865D+00  0.209054D+01
                36            37            38            39            40 
      1  -0.622806D+00 -0.306555D+00 -0.320455D+00  0.762894D-01  0.133041D+01
      2  -0.261741D+01  0.153624D+01 -0.169865D+01  0.249548D+01 -0.192894D+01
      3   0.191246D+01 -0.694175D+01 -0.745179D+01  0.181156D+01  0.291948D+00
                41            42            43            44            45 
      1  -0.953682D+00 -0.246729D+01  0.180827D+01  0.158704D+01  0.111697D+01
      2   0.134083D+01  0.560824D+01 -0.686964D+01  0.388757D+01  0.118390D+02
      3  -0.494393D+01 -0.197614D+01  0.157480D+01 -0.254957D+01 -0.476285D+01
                46            47            48            49            50 
      1  -0.222675D+01 -0.106075D+01  0.529893D+01 -0.203000D+01 -0.358808D+01
      2  -0.691246D-01  0.148215D+01  0.363352D+01  0.462142D+00  0.862877D+00
      3  -0.491819D+01 -0.110319D+02  0.134555D+01  0.219832D+01 -0.240829D+01
                51            52            53            54            55 
      1  -0.279787D+01  0.602980D+01  0.709595D+01  0.736815D+01  0.212682D+00
      2  -0.802812D+00 -0.343508D+01 -0.673981D+00  0.284541D+00  0.401273D+00
      3   0.564041D+00  0.286075D+01  0.106712D+01 -0.536871D+01 -0.708565D-01
                56            57            58            59            60 
      1   0.229712D+00 -0.296908D+01 -0.108403D-01  0.107421D+01 -0.106690D+02
      2   0.255485D+00  0.488865D+01 -0.136686D+01 -0.484505D+00  0.439794D+01
      3  -0.477280D+01 -0.187825D+00  0.919150D+01 -0.181781D+02  0.287080D+00
                61            62            63            64            65 
      1  -0.448003D+00  0.101920D+01  0.136496D+00  0.279573D+00 -0.796879D+00
      2   0.275774D+01  0.463389D+01 -0.107495D+01  0.457739D+00 -0.132158D-01
      3  -0.103270D+01  0.269996D+00 -0.444909D+01  0.307689D+00 -0.733794D+00
                66            67            68            69            70 
      1   0.209305D+00 -0.548379D+00 -0.389565D+00 -0.242493D+00  0.127130D+00
      2   0.756305D+00 -0.284062D+00  0.326786D+00 -0.635206D+00 -0.249278D+01
      3  -0.228963D+00  0.131981D+01 -0.223982D+00  0.254314D+00 -0.307933D-01
                71            72            73            74            75 
      1   0.318676D+01  0.107172D+01  0.984034D+00 -0.509725D+00 -0.253877D+00
      2  -0.166162D+00 -0.148816D+01  0.138515D+01  0.820914D-01 -0.228999D+00
      3   0.396860D+00  0.401268D+00 -0.162653D+00 -0.658440D+00 -0.915111D+00
                76            77            78            79            80 
      1  -0.220871D+00  0.480756D+00  0.437680D-01  0.874238D-01  0.315486D+01
      2  -0.423324D+00  0.150010D+01  0.728526D+00 -0.376697D+01 -0.517574D+00
      3   0.226158D+00  0.625003D+00 -0.116025D+01 -0.112135D+01 -0.131180D+01
                81            82            83            84            85 
      1   0.705111D+01 -0.108904D+01 -0.940022D-01 -0.350944D+00 -0.702580D-01
      2   0.994444D+01 -0.226427D+00  0.332251D+00  0.479252D+00  0.296270D+00
      3   0.543518D+00  0.312452D+01  0.147979D+01  0.597857D+00  0.509834D+01
                86            87            88            89            90 
      1  -0.432325D+01 -0.394248D+01 -0.656909D-01 -0.104146D+01 -0.590877D+00
      2   0.122389D+00 -0.102053D+01 -0.825242D+00 -0.109774D+01  0.170526D+00
      3   0.103900D+02  0.665856D+00  0.162637D+01  0.156407D+01  0.133810D+01
                91            92            93            94            95 
      1   0.963053D+00  0.706217D+00  0.100317D+01  0.734898D+00  0.101309D+01
      2  -0.626546D+00 -0.576763D+00 -0.139720D+01 -0.325232D+00 -0.674606D+00
      3   0.844761D+01  0.918031D+01 -0.346001D+00  0.120903D+02  0.149718D+02
                96            97            98            99           100 
      1  -0.104342D+01  0.782640D+00  0.111734D+01  0.101979D+00 -0.146802D+01
      2  -0.204289D+01 -0.210223D+01 -0.160264D+01  0.135294D+00 -0.559190D+00
      3   0.125713D+00 -0.827212D+00 -0.102057D+01 -0.156202D+00  0.805556D+00
               101           102           103           104           105 
      1  -0.801010D+00 -0.316988D+01 -0.617415D+00 -0.180663D+01 -0.229764D+01
      2   0.173089D+00  0.524413D+00  0.602536D-01 -0.119847D+00  0.394813D+00
      3   0.898935D+00  0.109413D+01  0.188969D+01  0.639935D+00  0.757085D+00
               106           107           108           109           110 
      1  -0.415849D+01 -0.201898D+01 -0.120045D+02  0.237006D+01  0.193658D+01
      2  -0.192770D+01  0.579229D+00  0.796507D+00  0.810285D+00 -0.201708D+00
      3   0.351592D+01  0.191555D+00  0.346268D+01  0.605676D+01  0.300282D+01
               111           112           113           114           115 
      1  -0.368071D+01  0.191568D+01  0.180331D+01 -0.260481D+01 -0.308864D+01
      2   0.919977D+00  0.470625D-01  0.424567D-01  0.763430D+00 -0.875407D+00
      3  -0.224918D+01  0.613121D+01  0.265971D+01 -0.168788D+01 -0.512936D+01
               116           117           118           119           120 
      1  -0.172845D+01  0.295535D+01 -0.897558D-01 -0.284036D+00  0.178921D+00
      2   0.378515D+00 -0.785792D+00 -0.370915D+01  0.109754D+01  0.524222D+01
      3  -0.180674D+01  0.258597D+01  0.104695D+01 -0.208737D+01 -0.920498D+00
               121           122           123           124           125 
      1  -0.200190D-01  0.296054D+00 -0.778279D+00 -0.584300D+00  0.169539D+01
      2   0.246087D+01 -0.255537D+01 -0.524017D+01  0.609027D+01 -0.349002D+01
      3  -0.117045D+01  0.188071D+01  0.242472D+01 -0.138237D+01  0.406001D+01
               126 
      1  -0.805945D+00
      2  -0.141663D+02
      3   0.332432D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.177809D+02 -0.107729D+01 -0.557395D+00 -0.840689D+01  0.133718D+02
      2   0.823290D+01 -0.196874D+01 -0.272818D+01  0.385498D+01 -0.188735D+02
      3   0.954804D+01  0.304603D+01  0.328557D+01  0.455192D+01  0.550170D+01
      4  -0.250563D+01  0.740505D+00 -0.614973D+00  0.749263D+01  0.775263D+01
      5   0.238334D+01 -0.560039D+00 -0.113280D+01 -0.932465D+00  0.240961D+01
      6  -0.416457D+01  0.336890D+01 -0.234668D+01  0.121372D+01 -0.407539D+01
                 6             7             8             9            10 
      1   0.149681D+01  0.584672D+01  0.983756D+00  0.143342D+02 -0.567850D+01
      2  -0.236549D+01 -0.318589D+01 -0.200479D+01  0.398323D+01  0.695948D+01
      3   0.868677D+00 -0.266083D+01  0.102104D+01 -0.183175D+02 -0.128099D+01
      4   0.249403D+01 -0.233674D+01  0.413703D+01 -0.187389D+01  0.103056D+01
      5  -0.142278D+01  0.332682D+01 -0.426531D+00 -0.156526D+02 -0.402567D+00
      6   0.179053D+01 -0.115132D+01  0.374846D+00  0.561758D+01  0.160508D+01
                11            12            13            14            15 
      1   0.208994D+01 -0.117747D+01  0.619678D+00  0.329502D+01  0.147545D+01
      2  -0.191603D+01 -0.270864D+00 -0.166279D+00 -0.786482D+01 -0.547312D+00
      3  -0.173902D+00  0.144833D+01 -0.453400D+00  0.456980D+01 -0.928134D+00
      4   0.311339D+01  0.919274D+00 -0.681725D+01  0.723844D+00 -0.740776D+00
      5   0.798637D+00  0.133586D+01 -0.438220D+00 -0.159407D+00  0.164896D+01
      6  -0.220693D+01  0.849182D-01 -0.230938D+01  0.269442D+00 -0.319839D+01
                16            17            18            19            20 
      1  -0.539987D+01  0.195087D+01  0.608313D+01 -0.373736D+01  0.928315D+01
      2   0.132595D+00 -0.376886D+01  0.115577D+02 -0.456073D+00 -0.985600D+01
      3   0.526727D+01  0.181799D+01 -0.176409D+02  0.419343D+01  0.572851D+00
      4  -0.137488D+01 -0.119580D+01  0.156275D+01  0.237894D+01 -0.116436D+02
      5  -0.217635D+01  0.144109D-01  0.858952D+01  0.253301D+00 -0.178697D+01
      6   0.787389D+00  0.771921D+00  0.804333D+00 -0.559970D+00  0.108279D+00
                21            22            23            24            25 
      1  -0.110435D+01  0.206886D+01  0.699079D+01 -0.138527D+00  0.203108D+00
      2  -0.224434D+01 -0.467599D+01 -0.182291D+02  0.824282D+00 -0.118338D+01
      3   0.334869D+01  0.260714D+01  0.112383D+02 -0.685755D+00  0.980275D+00
      4  -0.107760D+01 -0.207558D+02 -0.230011D+02 -0.310478D+00 -0.331931D+00
      5  -0.651567D+01 -0.228327D+01 -0.145361D+01 -0.226417D+01  0.204667D+01
      6   0.113751D+01 -0.867473D+00 -0.160743D+01 -0.131981D+02 -0.353913D+00
                26            27            28            29            30 
      1  -0.225154D+01 -0.491114D+01  0.414163D+02 -0.746378D+01 -0.105608D+01
      2   0.101103D+01 -0.657925D+01 -0.251035D+02  0.162235D+01  0.190600D+01
      3   0.124051D+01  0.114904D+02 -0.163128D+02  0.584143D+01 -0.849922D+00
      4   0.224830D+01 -0.217115D+01 -0.190667D+02  0.171777D+02  0.124727D+01
      5  -0.157146D+01  0.310489D+01 -0.253433D+01  0.547074D+00  0.139496D+02
      6   0.349593D+01 -0.513717D+00  0.866455D+00 -0.438335D+00 -0.455263D+01
                31            32            33            34            35 
      1   0.478068D+01  0.951714D+01 -0.102471D+01 -0.769191D+00  0.375977D+00
      2  -0.665056D+01 -0.271307D+01  0.368330D+00  0.159376D+01  0.181301D+00
      3   0.186988D+01 -0.680406D+01  0.656384D+00 -0.824573D+00 -0.557278D+00
      4   0.156805D+02 -0.529213D+01 -0.130596D+01  0.129400D+01 -0.161726D+01
      5  -0.442501D+00 -0.139153D+01 -0.320424D+01  0.137025D+02 -0.602617D+01
      6  -0.728134D+00  0.101546D+01  0.801598D+01 -0.206604D+01  0.541382D+01
                36            37            38            39            40 
      1   0.509292D+01  0.483982D+02  0.416850D+01  0.557305D+01  0.149140D+02
      2  -0.787545D+01 -0.250439D+02 -0.208139D+01 -0.212312D+01 -0.916113D+01
      3   0.278253D+01 -0.233543D+02 -0.208711D+01 -0.344992D+01 -0.575284D+01
      4  -0.561731D+01  0.817432D+00  0.107232D+02 -0.369934D+01  0.780389D+01
      5  -0.479477D+01  0.597347D+01 -0.280291D+01  0.371043D+01 -0.435657D+01
      6   0.132258D+01 -0.100038D+01 -0.359143D+00  0.126077D+01  0.179179D+01
                41            42            43            44            45 
      1   0.288737D+01 -0.296177D+01  0.862638D+01 -0.158749D+01 -0.383751D+01
      2   0.320285D+01  0.223994D+01 -0.676086D+01  0.115116D+01  0.223353D+00
      3  -0.609021D+01  0.721831D+00 -0.186551D+01  0.436330D+00  0.361415D+01
      4   0.559913D+01  0.335912D+01 -0.493723D+01  0.432635D+01  0.805230D+01
      5   0.342580D+01  0.963723D+01  0.186582D+00  0.772371D+01  0.209145D+02
      6  -0.140905D+01  0.119633D+01  0.169087D+01  0.205022D+01 -0.514085D+01
                46            47            48            49            50 
      1   0.130073D+02  0.137738D+01  0.116234D+01  0.199075D+01 -0.176107D+02
      2  -0.115853D+02 -0.511902D+01  0.179482D+01 -0.577719D+01  0.284715D+02
      3  -0.142201D+01  0.374164D+01 -0.295716D+01  0.378645D+01 -0.108608D+02
      4  -0.805254D+01 -0.532521D+01  0.304289D+01  0.552381D+00 -0.599857D+01
      5   0.174302D+01  0.155042D+01  0.374721D+00  0.109329D+01  0.733012D+00
      6   0.454825D+01  0.304171D+01 -0.932478D+01  0.325539D+01  0.437107D+01
                51            52            53            54            55 
      1  -0.864669D+00 -0.822383D+00  0.168825D+00 -0.181039D+00  0.104666D+02
      2   0.367130D+01  0.339182D+01  0.434251D+01 -0.440246D+00 -0.125330D+01
      3  -0.280663D+01 -0.256943D+01 -0.451134D+01  0.621285D+00 -0.921335D+01
      4   0.160475D+01  0.389827D+01  0.224068D+01 -0.980959D+01  0.176049D+02
      5  -0.241180D+01  0.102519D+01 -0.378765D+01 -0.351478D+01  0.137493D+01
      6   0.238465D+01 -0.111297D+02 -0.956230D+00 -0.114397D+02  0.771997D+00
                56            57            58            59            60 
      1   0.542695D+01 -0.715077D-01  0.686082D+01 -0.216249D+02 -0.474039D+00
      2   0.303786D+01  0.525833D+00  0.340485D+01  0.419246D+02 -0.340423D-01
      3  -0.846480D+01 -0.454325D+00 -0.102657D+02 -0.202997D+02  0.508081D+00
      4   0.222068D+02  0.791415D+00  0.237378D+02  0.461905D+02  0.131408D+01
      5   0.129825D+01  0.759430D+01  0.141627D+01  0.263107D+01  0.919270D+01
      6   0.704883D+00  0.395405D+01  0.139152D+01  0.164761D+01  0.168153D+02
                61            62            63            64            65 
      1   0.538206D+00 -0.263130D+00 -0.399548D+01  0.105847D+01  0.505364D-01
      2   0.463029D+00 -0.360568D+00  0.289448D+01 -0.415231D+01  0.251219D-01
      3  -0.100123D+01  0.623699D+00  0.110100D+01  0.309384D+01 -0.756583D-01
      4   0.106794D+00 -0.265309D+00  0.109926D+02 -0.315438D+00  0.140231D+01
      5   0.893147D+01  0.111073D+02  0.305178D+00 -0.232531D+01 -0.534545D-01
      6   0.398007D+01  0.141579D+02  0.584803D+00 -0.267786D+00  0.311097D+00
                66            67            68            69            70 
      1  -0.369755D+00 -0.195707D+00 -0.380942D+01 -0.511038D+00  0.120630D+01
      2   0.188417D+01  0.109677D+01  0.304557D+00 -0.111634D+01  0.264960D+01
      3  -0.151441D+01 -0.901063D+00  0.350486D+01  0.162738D+01 -0.385590D+01
      4  -0.306443D+00  0.287818D+01 -0.424333D+00 -0.641439D+00  0.699511D+00
      5   0.691988D+01  0.568004D+00 -0.952936D+00 -0.114070D+01  0.595875D+01
      6   0.207397D+00 -0.248055D+00  0.665093D+00  0.657924D+01 -0.398105D-01
                71            72            73            74            75 
      1   0.792944D+00 -0.170359D+02  0.634033D+00  0.542704D+00  0.404262D+01
      2  -0.989462D+00 -0.168592D+02 -0.339477D+01 -0.127836D+00 -0.840351D+00
      3   0.196518D+00  0.338951D+02  0.276074D+01 -0.414868D+00 -0.320226D+01
      4  -0.479675D+00 -0.754098D+00  0.594203D+00  0.598624D+00 -0.116219D+01
      5  -0.153323D-01 -0.734310D+01  0.174901D+01 -0.140267D+00  0.475515D+01
      6   0.445848D+01 -0.185427D+01 -0.819639D+00 -0.695857D+00  0.483081D+00
                76            77            78            79            80 
      1   0.201723D+01 -0.449954D+01 -0.727253D-02  0.508277D+01  0.157145D+01
      2  -0.134703D+01  0.211070D+01 -0.135851D+01 -0.274632D+01 -0.687862D+00
      3  -0.670207D+00  0.238884D+01  0.136579D+01 -0.233645D+01 -0.883589D+00
      4   0.233733D+00 -0.677777D+00  0.253455D+01 -0.196221D+01  0.261723D+01
      5  -0.263998D-01  0.229814D+01  0.157380D+01  0.503021D+01 -0.140224D+01
      6   0.185687D+00 -0.450811D+00  0.500450D+01 -0.248087D+00  0.574290D+01
                81            82            83            84            85 
      1  -0.190788D+02 -0.951396D+00 -0.383806D+01 -0.892003D+00 -0.493311D+01
      2  -0.126269D+02  0.348457D+01  0.271446D+01  0.836248D+00  0.283662D+01
      3   0.317057D+02 -0.253317D+01  0.112360D+01  0.557542D-01  0.209649D+01
      4  -0.230959D-01 -0.165343D+01  0.397385D+01  0.610111D+00  0.529927D+01
      5   0.191513D+02 -0.717907D+00 -0.776208D-01  0.665881D+00 -0.168271D+00
      6  -0.100814D+02  0.757017D+00 -0.218320D+00  0.536907D+00  0.118526D+00
                86            87            88            89            90 
      1  -0.185469D+02 -0.631526D+00 -0.247100D+01 -0.239838D+01 -0.481102D+01
      2   0.318781D+02  0.233330D+01  0.158911D+01  0.405763D+01  0.260949D+01
      3  -0.133313D+02 -0.170178D+01  0.881886D+00 -0.165925D+01  0.220153D+01
      4  -0.179940D+02 -0.109055D+01  0.937913D+00 -0.305802D+01 -0.201594D+01
      5  -0.104299D+01 -0.234515D+01  0.648124D+00 -0.257499D+01  0.191110D+00
      6   0.321044D+00  0.531031D+01  0.352100D+00  0.585135D+01  0.139096D+01
                91            92            93            94            95 
      1  -0.113618D+02 -0.258963D+01  0.181382D+00 -0.123264D+02 -0.646687D+01
      2   0.955032D+01  0.237955D+00 -0.187333D+00  0.687626D+01  0.100876D+02
      3   0.181149D+01  0.235167D+01  0.595091D-02  0.545009D+01 -0.362074D+01
      4  -0.108149D+00 -0.533866D+00 -0.519048D+00  0.702069D+01 -0.149031D+02
      5   0.100075D+01  0.334964D+00 -0.165996D+01  0.107677D+01  0.153269D+00
      6  -0.547876D+00 -0.906172D-02 -0.210416D+01 -0.301644D+00  0.468788D+00
                96            97            98            99           100 
      1   0.323391D+00  0.115836D+01  0.117815D+00 -0.106733D+01 -0.566301D+00
      2  -0.255503D+00 -0.801719D+00 -0.233643D+00  0.337619D+00  0.879498D+00
      3  -0.678882D-01 -0.356645D+00  0.115829D+00  0.729716D+00 -0.313197D+00
      4  -0.647040D+00 -0.329298D+00  0.870877D-01 -0.216415D+01  0.241361D+01
      5  -0.357827D+01  0.211312D+01 -0.196968D+01  0.501499D-01  0.250190D+01
      6   0.149931D+01 -0.137946D+01  0.253517D+01  0.138655D+00  0.273737D+01
               101           102           103           104           105 
      1  -0.115114D+01 -0.830275D+00 -0.121188D+00 -0.301711D+01 -0.179494D+01
      2   0.220909D+01  0.451486D+00  0.852746D+00  0.363488D+01  0.234221D+01
      3  -0.105795D+01  0.378789D+00 -0.731558D+00 -0.617775D+00 -0.547276D+00
      4   0.462036D+01  0.292468D+01  0.409264D+01  0.262891D+01  0.248013D+01
      5   0.155154D+01  0.407735D+01  0.685355D+00  0.163850D+01  0.142524D+01
      6   0.321716D+01  0.556738D+01  0.249485D+01  0.332289D+01  0.622821D+01
               106           107           108           109           110 
      1  -0.188575D+00 -0.509966D+01 -0.766762D+01  0.331154D+00 -0.329577D+01
      2  -0.915082D+00  0.438543D+01 -0.223701D+01  0.529741D+01  0.941703D+01
      3   0.110366D+01  0.714221D+00  0.990464D+01 -0.562856D+01 -0.612126D+01
      4   0.519302D+01  0.459874D+01  0.623047D+01  0.120155D+02  0.132773D+02
      5   0.409036D+01  0.308868D+01  0.731961D+01 -0.388889D+01 -0.305281D+01
      6   0.675996D+01  0.897627D+01  0.207255D+02 -0.628032D+01 -0.621891D+01
               111           112           113           114           115 
      1   0.409836D+00 -0.184075D+01 -0.563494D+01  0.159783D+01  0.143650D+01
      2  -0.259681D+01  0.667396D+01  0.127121D+02 -0.404357D+01 -0.293444D+01
      3   0.218698D+01 -0.483322D+01 -0.707719D+01  0.244574D+01  0.149794D+01
      4  -0.528566D+01  0.116387D+02  0.106660D+02 -0.434181D+01 -0.751452D+01
      5   0.418598D+01 -0.154343D+01 -0.277670D+01  0.181113D+01  0.414907D+01
      6   0.662275D+01 -0.504974D+01 -0.658677D+01  0.580221D+01  0.687496D+01
               116           117           118           119           120 
      1   0.346199D+01 -0.308956D+01  0.123369D+02 -0.328702D+01 -0.747037D+01
      2  -0.567041D+01  0.224822D+01 -0.720135D+01  0.168693D+01  0.467244D+01
      3   0.220843D+01  0.841339D+00 -0.513553D+01  0.160010D+01  0.279793D+01
      4  -0.658098D+01  0.629448D+01 -0.497588D+01  0.427875D+01  0.351305D+01
      5   0.336220D+01 -0.376355D+01 -0.873072D+01  0.277662D+01  0.105558D+02
      6   0.844109D+01 -0.736852D+01  0.235437D+01 -0.605467D+00 -0.152651D+01
               121           122           123           124           125 
      1  -0.554621D+01  0.207482D+01  0.325938D+01 -0.133673D+02  0.192096D+01
      2   0.241844D+01 -0.499594D+00 -0.154735D+01  0.978777D+01 -0.166909D+01
      3   0.312777D+01 -0.157522D+01 -0.171204D+01  0.357957D+01 -0.251867D+00
      4   0.682211D+01 -0.509269D+01 -0.632860D+01  0.665730D+01 -0.705838D+01
      5   0.535144D+01 -0.551223D+01 -0.892193D+01  0.166469D+02 -0.734485D+01
      6  -0.256705D+01  0.243149D+01  0.458643D+01 -0.389967D+01  0.329657D+01
               126 
      1   0.762076D+01
      2  -0.978044D+01
      3   0.215969D+01
      4  -0.870340D+01
      5  -0.261775D+02
      6   0.619751D+01
 Leave Link  716 at Thu Aug 12 21:10:52 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.656795D+02  0.177344D+00 -0.161999D+01
      2   0.177344D+00  0.646102D+02  0.383437D+00
      3  -0.161999D+01  0.383437D+00  0.488166D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.896414D-01 -0.183311D+01 -0.160984D+01
      2   0.147570D+00 -0.497632D+00  0.131554D+02
      3   0.510565D+01  0.521302D+01  0.151251D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.231836D+02 -0.244126D+01 -0.221539D+01
      2  -0.187735D+02  0.308566D+01  0.709639D+00
      3  -0.441007D+01 -0.644403D+00  0.150575D+01
      4   0.420938D+01 -0.113539D+02 -0.153435D+01
      5  -0.289838D+01 -0.400361D+01  0.286977D+02
      6  -0.133651D+01 -0.346326D+00  0.626067D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.218142D+00 -0.205143D+01  0.109930D+01 -0.329633D+01  0.148368D+01
      2  -0.205143D+01  0.266047D+01 -0.302609D+00  0.148368D+01  0.467799D+01
      3   0.109930D+01 -0.302609D+00  0.193015D+01 -0.374712D+00  0.131088D+01
                 6             7             8             9            10 
      1  -0.374712D+00  0.191960D+01 -0.600671D+00  0.101062D+01  0.428692D+00
      2   0.131088D+01 -0.600671D+00  0.172648D+01 -0.813272D-01  0.327495D+01
      3  -0.354051D+00  0.101062D+01 -0.813272D-01 -0.771557D+01 -0.102461D+01
                11            12            13            14            15 
      1   0.327495D+01 -0.102461D+01  0.297673D+01 -0.313965D+00  0.410544D-01
      2  -0.183826D+01  0.559688D+00 -0.313965D+00 -0.304477D+01 -0.827703D+00
      3   0.559688D+00 -0.745505D+00  0.410544D-01 -0.827703D+00  0.943910D+00
                16            17            18            19            20 
      1  -0.109835D+01  0.104691D+01 -0.121683D+01 -0.258450D+01 -0.169764D+01
      2   0.104691D+01 -0.137345D+01  0.407266D+00 -0.169764D+01  0.139976D+01
      3  -0.121683D+01  0.407266D+00  0.740140D+01  0.684501D-01  0.945626D-01
                21            22            23            24            25 
      1   0.684501D-01 -0.106521D+00  0.191093D+01  0.256274D+00 -0.620499D+00
      2   0.945626D-01  0.191093D+01  0.579607D+01  0.926914D-01  0.250140D+00
      3  -0.612619D+00  0.256274D+00  0.926914D-01  0.388300D+00 -0.200775D+00
                26            27            28            29            30 
      1   0.250140D+00 -0.200775D+00 -0.805883D+01  0.154255D+01  0.545987D+00
      2   0.531951D+00  0.177262D+00  0.154255D+01 -0.264765D+01 -0.180832D+00
      3   0.177262D+00 -0.435196D+00  0.545987D+00 -0.180832D+00 -0.855547D+00
                31            32            33            34            35 
      1  -0.165271D+01 -0.357142D+01  0.221398D-01  0.141566D+01 -0.157406D+00
      2  -0.357142D+01 -0.452533D+00  0.238868D+00 -0.157406D+00  0.173558D+00
      3   0.221398D-01  0.238868D+00  0.507956D+00 -0.172435D+01  0.129051D+01
                36            37            38            39            40 
      1  -0.172435D+01  0.737675D+01  0.742040D+00  0.937214D+00  0.270335D+01
      2   0.129051D+01  0.742040D+00  0.953893D-01 -0.369310D+00  0.843722D+00
      3   0.878717D+00  0.937214D+00 -0.369310D+00 -0.132825D+01 -0.725317D+00
                41            42            43            44            45 
      1   0.843722D+00 -0.725317D+00  0.243223D+01 -0.473470D+00 -0.612452D+00
      2   0.100703D+01  0.294278D+00 -0.473470D+00  0.843735D+00  0.132593D+01
      3   0.294278D+00  0.171203D+01 -0.612452D+00  0.132593D+01  0.408497D+01
                46            47            48            49            50 
      1  -0.208271D+01 -0.179505D+01  0.100772D+01 -0.115076D+01 -0.173986D+01
      2  -0.179505D+01 -0.167270D+01  0.100331D+00 -0.173986D+01  0.515141D+01
      3   0.100772D+01  0.100331D+00 -0.216301D+01  0.384463D+00  0.686825D+00
                51            52            53            54            55 
      1   0.384463D+00  0.115804D+01  0.406253D+00 -0.227604D+01 -0.214171D+01
      2   0.686825D+00  0.406253D+00  0.746667D+00 -0.794544D+00 -0.330070D+01
      3  -0.798778D+00 -0.227604D+01 -0.794544D+00 -0.384440D+01 -0.949220D-01
                56            57            58            59            60 
      1  -0.330070D+01 -0.949220D-01 -0.403112D+01 -0.252877D+01 -0.942032D-01
      2  -0.277228D+01 -0.213255D+00 -0.252877D+01 -0.129081D+02 -0.147010D+00
      3  -0.213255D+00 -0.260396D+00 -0.942032D-01 -0.147010D+00 -0.229299D+01
                61            62            63            64            65 
      1  -0.605352D-01 -0.272558D-01 -0.109562D+01  0.367169D+00 -0.542279D+00
      2  -0.272558D-01 -0.209783D-01 -0.315959D+01 -0.542279D+00  0.448758D+00
      3  -0.109562D+01 -0.315959D+01 -0.456195D-01 -0.117407D+01 -0.446804D-01
                66            67            68            69            70 
      1  -0.117407D+01 -0.109667D+01  0.347316D+00  0.135946D+00 -0.175316D+01
      2  -0.446804D-01  0.347316D+00  0.427950D+00 -0.113501D+01 -0.179710D+00
      3   0.107269D+01  0.135946D+00 -0.113501D+01 -0.547232D+00  0.917128D+00
                71            72            73            74            75 
      1  -0.179710D+00  0.917128D+00  0.193704D-01  0.241744D+00  0.995179D+00
      2  -0.147239D+01 -0.630624D-01  0.241744D+00 -0.311399D+00  0.829837D-01
      3  -0.630624D-01 -0.865967D+01  0.995179D+00  0.829837D-01 -0.703714D+00
                76            77            78            79            80 
      1   0.872552D+00 -0.149451D+00 -0.648709D-02  0.166420D+01 -0.188837D+00
      2  -0.149451D+00 -0.461169D+00  0.101524D+01 -0.188837D+00  0.129820D+01
      3  -0.648709D-02  0.101524D+01  0.640327D+00  0.169412D+00 -0.618539D+00
                81            82            83            84            85 
      1   0.169412D+00 -0.735030D+00 -0.932922D+00 -0.397631D+00 -0.147810D+01
      2  -0.618539D+00 -0.932922D+00 -0.405571D+00  0.508033D-01  0.604042D-02
      3   0.868435D+01 -0.397631D+00  0.508033D-01 -0.239999D+00  0.203956D-01
                86            87            88            89            90 
      1   0.604042D-02  0.203956D-01 -0.100347D+01  0.816524D-01 -0.135825D+00
      2  -0.834522D+01 -0.538430D+00  0.816524D-01 -0.130551D+01 -0.114294D+01
      3  -0.538430D+00 -0.109328D+01 -0.135825D+00 -0.114294D+01  0.109798D+00
                91            92            93            94            95 
      1   0.226163D+01  0.176912D+01 -0.261415D+00  0.427106D+01  0.274115D+00
      2   0.176912D+01  0.678143D+00  0.932270D-01  0.274115D+00  0.454204D+01
      3  -0.261415D+00  0.932270D-01 -0.398885D+00 -0.225804D+00  0.145337D+00
                96            97            98            99           100 
      1  -0.225804D+00 -0.430911D+00 -0.121129D+00 -0.545952D+00  0.414113D+00
      2   0.145337D+00 -0.121129D+00 -0.736858D-01  0.525625D+00  0.808120D+00
      3   0.814188D+00 -0.545952D+00  0.525625D+00  0.123115D+00  0.788438D+00
               101           102           103           104           105 
      1   0.808120D+00  0.788438D+00  0.700595D+00  0.418741D+00  0.457512D+00
      2   0.730364D+00  0.758197D+00  0.418741D+00  0.114881D+01  0.760260D+00
      3   0.758197D+00  0.129569D+01  0.457512D+00  0.760260D+00  0.825126D+00
               106           107           108           109           110 
      1   0.170450D+01  0.587263D+00  0.167522D+01  0.272334D+01  0.245834D+01
      2   0.587263D+00  0.230978D+01  0.189746D+01  0.245834D+01  0.295617D+01
      3   0.167522D+01  0.189746D+01  0.571626D+01 -0.113507D+01 -0.975586D+00
               111           112           113           114           115 
      1  -0.113507D+01  0.263798D+01  0.208515D+01 -0.829413D+00 -0.215128D+01
      2  -0.975586D+00  0.208515D+01  0.331639D+01 -0.972863D+00 -0.132604D+01
      3   0.141239D+01 -0.829413D+00 -0.972863D+00  0.109551D+01  0.140050D+01
               116           117           118           119           120 
      1  -0.132604D+01  0.140050D+01  0.222985D+01 -0.516845D+00 -0.135456D+01
      2  -0.207798D+01  0.145207D+01 -0.516845D+00  0.678810D+00  0.346479D+00
      3   0.145207D+01 -0.162389D+01 -0.135456D+01  0.346479D+00  0.159700D+01
               121           122           123           124           125 
      1  -0.135005D+01  0.933761D+00  0.938150D+00 -0.317602D+01  0.702305D+00
      2   0.933761D+00 -0.855923D+00 -0.923365D+00  0.702305D+00 -0.130637D+01
      3   0.938150D+00 -0.923365D+00 -0.184101D+01  0.263498D+01 -0.121613D+01
               126 
      1   0.263498D+01
      2  -0.121613D+01
      3  -0.467426D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.185655D+01  0.425333D+00  0.121005D+01 -0.141983D+01  0.713465D+01
      2   0.179498D+01 -0.205455D+00  0.150217D+01 -0.110261D+01  0.459610D+00
      3   0.237861D+01  0.523476D+00 -0.690094D+00  0.668408D+01 -0.843559D+01
                 6             7             8             9            10 
      1  -0.177970D+01  0.168300D+00  0.214487D+01 -0.620323D+01 -0.140741D+01
      2  -0.628127D+00 -0.319717D+01  0.588348D+00 -0.717186D+01  0.282723D+01
      3  -0.896570D+00 -0.189538D+01 -0.185799D+01 -0.343585D+00  0.928273D+00
                11            12            13            14            15 
      1   0.699777D+00 -0.689570D+00  0.561490D+00  0.109094D+00 -0.697708D+00
      2  -0.705157D+00  0.343674D+01  0.195753D+01 -0.173869D+01  0.120086D+01
      3  -0.559091D+01  0.581915D+00 -0.736245D+00  0.126381D+01  0.933201D+00
                16            17            18            19            20 
      1  -0.116055D+01  0.464526D+01  0.310457D-01  0.835615D+00  0.793684D+00
      2  -0.312060D+01  0.349727D+00  0.105225D+01 -0.536280D+01 -0.115817D+00
      3  -0.371287D+00  0.979298D+00  0.565455D+00 -0.548330D+01 -0.174825D+00
                21            22            23            24            25 
      1   0.511345D+00  0.173947D+01 -0.353144D+00  0.872662D+01 -0.169310D+00
      2  -0.517903D+01 -0.792420D+00  0.117574D+01 -0.210879D+01 -0.186871D+02
      3  -0.261023D+00  0.732080D+00  0.940753D+01 -0.166239D+01  0.177375D+01
                26            27            28            29            30 
      1   0.935410D+01  0.586921D+00 -0.914026D+00 -0.924444D+00  0.262605D+01
      2  -0.205488D+01  0.388949D+01  0.532962D+00  0.290187D+00  0.734155D+01
      3  -0.207278D+01  0.946663D+00 -0.560577D+01 -0.148922D+02  0.175262D+00
                31            32            33            34            35 
      1  -0.536967D+00 -0.692830D+00 -0.386478D+01  0.757982D+00  0.209679D+01
      2   0.939322D+00 -0.257773D+00 -0.615282D+00  0.560887D+01 -0.900516D+00
      3  -0.111037D+02 -0.756238D+01  0.563652D+00  0.438865D+00  0.209054D+01
                36            37            38            39            40 
      1  -0.622806D+00 -0.306555D+00 -0.320455D+00  0.762894D-01  0.133041D+01
      2  -0.261741D+01  0.153624D+01 -0.169865D+01  0.249548D+01 -0.192894D+01
      3   0.191246D+01 -0.694175D+01 -0.745179D+01  0.181156D+01  0.291948D+00
                41            42            43            44            45 
      1  -0.953682D+00 -0.246729D+01  0.180827D+01  0.158704D+01  0.111697D+01
      2   0.134083D+01  0.560824D+01 -0.686964D+01  0.388757D+01  0.118390D+02
      3  -0.494393D+01 -0.197614D+01  0.157480D+01 -0.254957D+01 -0.476285D+01
                46            47            48            49            50 
      1  -0.222675D+01 -0.106075D+01  0.529893D+01 -0.203000D+01 -0.358808D+01
      2  -0.691246D-01  0.148215D+01  0.363352D+01  0.462142D+00  0.862877D+00
      3  -0.491819D+01 -0.110319D+02  0.134555D+01  0.219832D+01 -0.240829D+01
                51            52            53            54            55 
      1  -0.279787D+01  0.602980D+01  0.709595D+01  0.736815D+01  0.212682D+00
      2  -0.802812D+00 -0.343508D+01 -0.673981D+00  0.284541D+00  0.401273D+00
      3   0.564041D+00  0.286075D+01  0.106712D+01 -0.536871D+01 -0.708565D-01
                56            57            58            59            60 
      1   0.229712D+00 -0.296908D+01 -0.108403D-01  0.107421D+01 -0.106690D+02
      2   0.255485D+00  0.488865D+01 -0.136686D+01 -0.484505D+00  0.439794D+01
      3  -0.477280D+01 -0.187825D+00  0.919150D+01 -0.181781D+02  0.287080D+00
                61            62            63            64            65 
      1  -0.448003D+00  0.101920D+01  0.136496D+00  0.279573D+00 -0.796879D+00
      2   0.275774D+01  0.463389D+01 -0.107495D+01  0.457739D+00 -0.132158D-01
      3  -0.103270D+01  0.269996D+00 -0.444909D+01  0.307689D+00 -0.733794D+00
                66            67            68            69            70 
      1   0.209305D+00 -0.548379D+00 -0.389565D+00 -0.242493D+00  0.127130D+00
      2   0.756305D+00 -0.284062D+00  0.326786D+00 -0.635206D+00 -0.249278D+01
      3  -0.228963D+00  0.131981D+01 -0.223982D+00  0.254314D+00 -0.307933D-01
                71            72            73            74            75 
      1   0.318676D+01  0.107172D+01  0.984034D+00 -0.509725D+00 -0.253877D+00
      2  -0.166162D+00 -0.148816D+01  0.138515D+01  0.820914D-01 -0.228999D+00
      3   0.396860D+00  0.401268D+00 -0.162653D+00 -0.658440D+00 -0.915111D+00
                76            77            78            79            80 
      1  -0.220871D+00  0.480756D+00  0.437680D-01  0.874238D-01  0.315486D+01
      2  -0.423324D+00  0.150010D+01  0.728526D+00 -0.376697D+01 -0.517574D+00
      3   0.226158D+00  0.625003D+00 -0.116025D+01 -0.112135D+01 -0.131180D+01
                81            82            83            84            85 
      1   0.705111D+01 -0.108904D+01 -0.940022D-01 -0.350944D+00 -0.702580D-01
      2   0.994444D+01 -0.226427D+00  0.332251D+00  0.479252D+00  0.296270D+00
      3   0.543518D+00  0.312452D+01  0.147979D+01  0.597857D+00  0.509834D+01
                86            87            88            89            90 
      1  -0.432325D+01 -0.394248D+01 -0.656909D-01 -0.104146D+01 -0.590877D+00
      2   0.122389D+00 -0.102053D+01 -0.825242D+00 -0.109774D+01  0.170526D+00
      3   0.103900D+02  0.665856D+00  0.162637D+01  0.156407D+01  0.133810D+01
                91            92            93            94            95 
      1   0.963053D+00  0.706217D+00  0.100317D+01  0.734898D+00  0.101309D+01
      2  -0.626546D+00 -0.576763D+00 -0.139720D+01 -0.325232D+00 -0.674606D+00
      3   0.844761D+01  0.918031D+01 -0.346001D+00  0.120903D+02  0.149718D+02
                96            97            98            99           100 
      1  -0.104342D+01  0.782640D+00  0.111734D+01  0.101979D+00 -0.146802D+01
      2  -0.204289D+01 -0.210223D+01 -0.160264D+01  0.135294D+00 -0.559190D+00
      3   0.125713D+00 -0.827212D+00 -0.102057D+01 -0.156202D+00  0.805556D+00
               101           102           103           104           105 
      1  -0.801010D+00 -0.316988D+01 -0.617415D+00 -0.180663D+01 -0.229764D+01
      2   0.173089D+00  0.524413D+00  0.602536D-01 -0.119847D+00  0.394813D+00
      3   0.898935D+00  0.109413D+01  0.188969D+01  0.639935D+00  0.757085D+00
               106           107           108           109           110 
      1  -0.415849D+01 -0.201898D+01 -0.120045D+02  0.237006D+01  0.193658D+01
      2  -0.192770D+01  0.579229D+00  0.796507D+00  0.810285D+00 -0.201708D+00
      3   0.351592D+01  0.191555D+00  0.346268D+01  0.605676D+01  0.300282D+01
               111           112           113           114           115 
      1  -0.368071D+01  0.191568D+01  0.180331D+01 -0.260481D+01 -0.308864D+01
      2   0.919977D+00  0.470625D-01  0.424567D-01  0.763430D+00 -0.875407D+00
      3  -0.224918D+01  0.613121D+01  0.265971D+01 -0.168788D+01 -0.512936D+01
               116           117           118           119           120 
      1  -0.172845D+01  0.295535D+01 -0.897558D-01 -0.284036D+00  0.178921D+00
      2   0.378515D+00 -0.785792D+00 -0.370915D+01  0.109754D+01  0.524222D+01
      3  -0.180674D+01  0.258597D+01  0.104695D+01 -0.208737D+01 -0.920498D+00
               121           122           123           124           125 
      1  -0.200190D-01  0.296054D+00 -0.778279D+00 -0.584300D+00  0.169539D+01
      2   0.246087D+01 -0.255537D+01 -0.524017D+01  0.609027D+01 -0.349002D+01
      3  -0.117045D+01  0.188071D+01  0.242472D+01 -0.138237D+01  0.406001D+01
               126 
      1  -0.805945D+00
      2  -0.141663D+02
      3   0.332432D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.177809D+02 -0.107729D+01 -0.557395D+00 -0.840689D+01  0.133718D+02
      2   0.823290D+01 -0.196874D+01 -0.272818D+01  0.385498D+01 -0.188735D+02
      3   0.954804D+01  0.304603D+01  0.328557D+01  0.455192D+01  0.550170D+01
      4  -0.250563D+01  0.740505D+00 -0.614973D+00  0.749263D+01  0.775263D+01
      5   0.238334D+01 -0.560039D+00 -0.113280D+01 -0.932465D+00  0.240961D+01
      6  -0.416457D+01  0.336890D+01 -0.234668D+01  0.121372D+01 -0.407539D+01
                 6             7             8             9            10 
      1   0.149681D+01  0.584672D+01  0.983756D+00  0.143342D+02 -0.567850D+01
      2  -0.236549D+01 -0.318589D+01 -0.200479D+01  0.398323D+01  0.695948D+01
      3   0.868677D+00 -0.266083D+01  0.102104D+01 -0.183175D+02 -0.128099D+01
      4   0.249403D+01 -0.233674D+01  0.413703D+01 -0.187389D+01  0.103056D+01
      5  -0.142278D+01  0.332682D+01 -0.426531D+00 -0.156526D+02 -0.402567D+00
      6   0.179053D+01 -0.115132D+01  0.374846D+00  0.561758D+01  0.160508D+01
                11            12            13            14            15 
      1   0.208994D+01 -0.117747D+01  0.619678D+00  0.329502D+01  0.147545D+01
      2  -0.191603D+01 -0.270864D+00 -0.166279D+00 -0.786482D+01 -0.547312D+00
      3  -0.173902D+00  0.144833D+01 -0.453400D+00  0.456980D+01 -0.928134D+00
      4   0.311339D+01  0.919274D+00 -0.681725D+01  0.723844D+00 -0.740776D+00
      5   0.798637D+00  0.133586D+01 -0.438220D+00 -0.159407D+00  0.164896D+01
      6  -0.220693D+01  0.849182D-01 -0.230938D+01  0.269442D+00 -0.319839D+01
                16            17            18            19            20 
      1  -0.539987D+01  0.195087D+01  0.608313D+01 -0.373736D+01  0.928315D+01
      2   0.132595D+00 -0.376886D+01  0.115577D+02 -0.456073D+00 -0.985600D+01
      3   0.526727D+01  0.181799D+01 -0.176409D+02  0.419343D+01  0.572851D+00
      4  -0.137488D+01 -0.119580D+01  0.156275D+01  0.237894D+01 -0.116436D+02
      5  -0.217635D+01  0.144109D-01  0.858952D+01  0.253301D+00 -0.178697D+01
      6   0.787389D+00  0.771921D+00  0.804333D+00 -0.559970D+00  0.108279D+00
                21            22            23            24            25 
      1  -0.110435D+01  0.206886D+01  0.699079D+01 -0.138527D+00  0.203108D+00
      2  -0.224434D+01 -0.467599D+01 -0.182291D+02  0.824282D+00 -0.118338D+01
      3   0.334869D+01  0.260714D+01  0.112383D+02 -0.685755D+00  0.980275D+00
      4  -0.107760D+01 -0.207558D+02 -0.230011D+02 -0.310478D+00 -0.331931D+00
      5  -0.651567D+01 -0.228327D+01 -0.145361D+01 -0.226417D+01  0.204667D+01
      6   0.113751D+01 -0.867473D+00 -0.160743D+01 -0.131981D+02 -0.353913D+00
                26            27            28            29            30 
      1  -0.225154D+01 -0.491114D+01  0.414163D+02 -0.746378D+01 -0.105608D+01
      2   0.101103D+01 -0.657925D+01 -0.251035D+02  0.162235D+01  0.190600D+01
      3   0.124051D+01  0.114904D+02 -0.163128D+02  0.584143D+01 -0.849922D+00
      4   0.224830D+01 -0.217115D+01 -0.190667D+02  0.171777D+02  0.124727D+01
      5  -0.157146D+01  0.310489D+01 -0.253433D+01  0.547074D+00  0.139496D+02
      6   0.349593D+01 -0.513717D+00  0.866455D+00 -0.438335D+00 -0.455263D+01
                31            32            33            34            35 
      1   0.478068D+01  0.951714D+01 -0.102471D+01 -0.769191D+00  0.375977D+00
      2  -0.665056D+01 -0.271307D+01  0.368330D+00  0.159376D+01  0.181301D+00
      3   0.186988D+01 -0.680406D+01  0.656384D+00 -0.824573D+00 -0.557278D+00
      4   0.156805D+02 -0.529213D+01 -0.130596D+01  0.129400D+01 -0.161726D+01
      5  -0.442501D+00 -0.139153D+01 -0.320424D+01  0.137025D+02 -0.602617D+01
      6  -0.728134D+00  0.101546D+01  0.801598D+01 -0.206604D+01  0.541382D+01
                36            37            38            39            40 
      1   0.509292D+01  0.483982D+02  0.416850D+01  0.557305D+01  0.149140D+02
      2  -0.787545D+01 -0.250439D+02 -0.208139D+01 -0.212312D+01 -0.916113D+01
      3   0.278253D+01 -0.233543D+02 -0.208711D+01 -0.344992D+01 -0.575284D+01
      4  -0.561731D+01  0.817432D+00  0.107232D+02 -0.369934D+01  0.780389D+01
      5  -0.479477D+01  0.597347D+01 -0.280291D+01  0.371043D+01 -0.435657D+01
      6   0.132258D+01 -0.100038D+01 -0.359143D+00  0.126077D+01  0.179179D+01
                41            42            43            44            45 
      1   0.288737D+01 -0.296177D+01  0.862638D+01 -0.158749D+01 -0.383751D+01
      2   0.320285D+01  0.223994D+01 -0.676086D+01  0.115116D+01  0.223353D+00
      3  -0.609021D+01  0.721831D+00 -0.186551D+01  0.436330D+00  0.361415D+01
      4   0.559913D+01  0.335912D+01 -0.493723D+01  0.432635D+01  0.805230D+01
      5   0.342580D+01  0.963723D+01  0.186582D+00  0.772371D+01  0.209145D+02
      6  -0.140905D+01  0.119633D+01  0.169087D+01  0.205022D+01 -0.514085D+01
                46            47            48            49            50 
      1   0.130073D+02  0.137738D+01  0.116234D+01  0.199075D+01 -0.176107D+02
      2  -0.115853D+02 -0.511902D+01  0.179482D+01 -0.577719D+01  0.284715D+02
      3  -0.142201D+01  0.374164D+01 -0.295716D+01  0.378645D+01 -0.108608D+02
      4  -0.805254D+01 -0.532521D+01  0.304289D+01  0.552381D+00 -0.599857D+01
      5   0.174302D+01  0.155042D+01  0.374721D+00  0.109329D+01  0.733012D+00
      6   0.454825D+01  0.304171D+01 -0.932478D+01  0.325539D+01  0.437107D+01
                51            52            53            54            55 
      1  -0.864669D+00 -0.822383D+00  0.168825D+00 -0.181039D+00  0.104666D+02
      2   0.367130D+01  0.339182D+01  0.434251D+01 -0.440246D+00 -0.125330D+01
      3  -0.280663D+01 -0.256943D+01 -0.451134D+01  0.621285D+00 -0.921335D+01
      4   0.160475D+01  0.389827D+01  0.224068D+01 -0.980959D+01  0.176049D+02
      5  -0.241180D+01  0.102519D+01 -0.378765D+01 -0.351478D+01  0.137493D+01
      6   0.238465D+01 -0.111297D+02 -0.956230D+00 -0.114397D+02  0.771997D+00
                56            57            58            59            60 
      1   0.542695D+01 -0.715077D-01  0.686082D+01 -0.216249D+02 -0.474039D+00
      2   0.303786D+01  0.525833D+00  0.340485D+01  0.419246D+02 -0.340423D-01
      3  -0.846480D+01 -0.454325D+00 -0.102657D+02 -0.202997D+02  0.508081D+00
      4   0.222068D+02  0.791415D+00  0.237378D+02  0.461905D+02  0.131408D+01
      5   0.129825D+01  0.759430D+01  0.141627D+01  0.263107D+01  0.919270D+01
      6   0.704883D+00  0.395405D+01  0.139152D+01  0.164761D+01  0.168153D+02
                61            62            63            64            65 
      1   0.538206D+00 -0.263130D+00 -0.399548D+01  0.105847D+01  0.505364D-01
      2   0.463029D+00 -0.360568D+00  0.289448D+01 -0.415231D+01  0.251219D-01
      3  -0.100123D+01  0.623699D+00  0.110100D+01  0.309384D+01 -0.756583D-01
      4   0.106794D+00 -0.265309D+00  0.109926D+02 -0.315438D+00  0.140231D+01
      5   0.893147D+01  0.111073D+02  0.305178D+00 -0.232531D+01 -0.534545D-01
      6   0.398007D+01  0.141579D+02  0.584803D+00 -0.267786D+00  0.311097D+00
                66            67            68            69            70 
      1  -0.369755D+00 -0.195707D+00 -0.380942D+01 -0.511038D+00  0.120630D+01
      2   0.188417D+01  0.109677D+01  0.304557D+00 -0.111634D+01  0.264960D+01
      3  -0.151441D+01 -0.901063D+00  0.350486D+01  0.162738D+01 -0.385590D+01
      4  -0.306443D+00  0.287818D+01 -0.424333D+00 -0.641439D+00  0.699511D+00
      5   0.691988D+01  0.568004D+00 -0.952936D+00 -0.114070D+01  0.595875D+01
      6   0.207397D+00 -0.248055D+00  0.665093D+00  0.657924D+01 -0.398105D-01
                71            72            73            74            75 
      1   0.792944D+00 -0.170359D+02  0.634033D+00  0.542704D+00  0.404262D+01
      2  -0.989462D+00 -0.168592D+02 -0.339477D+01 -0.127836D+00 -0.840351D+00
      3   0.196518D+00  0.338951D+02  0.276074D+01 -0.414868D+00 -0.320226D+01
      4  -0.479675D+00 -0.754098D+00  0.594203D+00  0.598624D+00 -0.116219D+01
      5  -0.153323D-01 -0.734310D+01  0.174901D+01 -0.140267D+00  0.475515D+01
      6   0.445848D+01 -0.185427D+01 -0.819639D+00 -0.695857D+00  0.483081D+00
                76            77            78            79            80 
      1   0.201723D+01 -0.449954D+01 -0.727253D-02  0.508277D+01  0.157145D+01
      2  -0.134703D+01  0.211070D+01 -0.135851D+01 -0.274632D+01 -0.687862D+00
      3  -0.670207D+00  0.238884D+01  0.136579D+01 -0.233645D+01 -0.883589D+00
      4   0.233733D+00 -0.677777D+00  0.253455D+01 -0.196221D+01  0.261723D+01
      5  -0.263998D-01  0.229814D+01  0.157380D+01  0.503021D+01 -0.140224D+01
      6   0.185687D+00 -0.450811D+00  0.500450D+01 -0.248087D+00  0.574290D+01
                81            82            83            84            85 
      1  -0.190788D+02 -0.951396D+00 -0.383806D+01 -0.892003D+00 -0.493311D+01
      2  -0.126269D+02  0.348457D+01  0.271446D+01  0.836248D+00  0.283662D+01
      3   0.317057D+02 -0.253317D+01  0.112360D+01  0.557542D-01  0.209649D+01
      4  -0.230959D-01 -0.165343D+01  0.397385D+01  0.610111D+00  0.529927D+01
      5   0.191513D+02 -0.717907D+00 -0.776208D-01  0.665881D+00 -0.168271D+00
      6  -0.100814D+02  0.757017D+00 -0.218320D+00  0.536907D+00  0.118526D+00
                86            87            88            89            90 
      1  -0.185469D+02 -0.631526D+00 -0.247100D+01 -0.239838D+01 -0.481102D+01
      2   0.318781D+02  0.233330D+01  0.158911D+01  0.405763D+01  0.260949D+01
      3  -0.133313D+02 -0.170178D+01  0.881886D+00 -0.165925D+01  0.220153D+01
      4  -0.179940D+02 -0.109055D+01  0.937913D+00 -0.305802D+01 -0.201594D+01
      5  -0.104299D+01 -0.234515D+01  0.648124D+00 -0.257499D+01  0.191110D+00
      6   0.321044D+00  0.531031D+01  0.352100D+00  0.585135D+01  0.139096D+01
                91            92            93            94            95 
      1  -0.113618D+02 -0.258963D+01  0.181382D+00 -0.123264D+02 -0.646687D+01
      2   0.955032D+01  0.237955D+00 -0.187333D+00  0.687626D+01  0.100876D+02
      3   0.181149D+01  0.235167D+01  0.595091D-02  0.545009D+01 -0.362074D+01
      4  -0.108149D+00 -0.533866D+00 -0.519048D+00  0.702069D+01 -0.149031D+02
      5   0.100075D+01  0.334964D+00 -0.165996D+01  0.107677D+01  0.153269D+00
      6  -0.547876D+00 -0.906172D-02 -0.210416D+01 -0.301644D+00  0.468788D+00
                96            97            98            99           100 
      1   0.323391D+00  0.115836D+01  0.117815D+00 -0.106733D+01 -0.566301D+00
      2  -0.255503D+00 -0.801719D+00 -0.233643D+00  0.337619D+00  0.879498D+00
      3  -0.678882D-01 -0.356645D+00  0.115829D+00  0.729716D+00 -0.313197D+00
      4  -0.647040D+00 -0.329298D+00  0.870877D-01 -0.216415D+01  0.241361D+01
      5  -0.357827D+01  0.211312D+01 -0.196968D+01  0.501499D-01  0.250190D+01
      6   0.149931D+01 -0.137946D+01  0.253517D+01  0.138655D+00  0.273737D+01
               101           102           103           104           105 
      1  -0.115114D+01 -0.830275D+00 -0.121188D+00 -0.301711D+01 -0.179494D+01
      2   0.220909D+01  0.451486D+00  0.852746D+00  0.363488D+01  0.234221D+01
      3  -0.105795D+01  0.378789D+00 -0.731558D+00 -0.617775D+00 -0.547276D+00
      4   0.462036D+01  0.292468D+01  0.409264D+01  0.262891D+01  0.248013D+01
      5   0.155154D+01  0.407735D+01  0.685355D+00  0.163850D+01  0.142524D+01
      6   0.321716D+01  0.556738D+01  0.249485D+01  0.332289D+01  0.622821D+01
               106           107           108           109           110 
      1  -0.188575D+00 -0.509966D+01 -0.766762D+01  0.331154D+00 -0.329577D+01
      2  -0.915082D+00  0.438543D+01 -0.223701D+01  0.529741D+01  0.941703D+01
      3   0.110366D+01  0.714221D+00  0.990464D+01 -0.562856D+01 -0.612126D+01
      4   0.519302D+01  0.459874D+01  0.623047D+01  0.120155D+02  0.132773D+02
      5   0.409036D+01  0.308868D+01  0.731961D+01 -0.388889D+01 -0.305281D+01
      6   0.675996D+01  0.897627D+01  0.207255D+02 -0.628032D+01 -0.621891D+01
               111           112           113           114           115 
      1   0.409836D+00 -0.184075D+01 -0.563494D+01  0.159783D+01  0.143650D+01
      2  -0.259681D+01  0.667396D+01  0.127121D+02 -0.404357D+01 -0.293444D+01
      3   0.218698D+01 -0.483322D+01 -0.707719D+01  0.244574D+01  0.149794D+01
      4  -0.528566D+01  0.116387D+02  0.106660D+02 -0.434181D+01 -0.751452D+01
      5   0.418598D+01 -0.154343D+01 -0.277670D+01  0.181113D+01  0.414907D+01
      6   0.662275D+01 -0.504974D+01 -0.658677D+01  0.580221D+01  0.687496D+01
               116           117           118           119           120 
      1   0.346199D+01 -0.308956D+01  0.123369D+02 -0.328702D+01 -0.747037D+01
      2  -0.567041D+01  0.224822D+01 -0.720135D+01  0.168693D+01  0.467244D+01
      3   0.220843D+01  0.841339D+00 -0.513553D+01  0.160010D+01  0.279793D+01
      4  -0.658098D+01  0.629448D+01 -0.497588D+01  0.427875D+01  0.351305D+01
      5   0.336220D+01 -0.376355D+01 -0.873072D+01  0.277662D+01  0.105558D+02
      6   0.844109D+01 -0.736852D+01  0.235437D+01 -0.605467D+00 -0.152651D+01
               121           122           123           124           125 
      1  -0.554621D+01  0.207482D+01  0.325938D+01 -0.133673D+02  0.192096D+01
      2   0.241844D+01 -0.499594D+00 -0.154735D+01  0.978777D+01 -0.166909D+01
      3   0.312777D+01 -0.157522D+01 -0.171204D+01  0.357957D+01 -0.251867D+00
      4   0.682211D+01 -0.509269D+01 -0.632860D+01  0.665730D+01 -0.705838D+01
      5   0.535144D+01 -0.551223D+01 -0.892193D+01  0.166469D+02 -0.734485D+01
      6  -0.256705D+01  0.243149D+01  0.458643D+01 -0.389967D+01  0.329657D+01
               126 
      1   0.762076D+01
      2  -0.978044D+01
      3   0.215969D+01
      4  -0.870340D+01
      5  -0.261775D+02
      6   0.619751D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.168312D+01      0.427807D+01      0.142701D+02
   x          0.130989D+01      0.332940D+01      0.111057D+02
   y          0.957810D+00      0.243451D+01      0.812065D+01
   z         -0.446869D+00     -0.113583D+01     -0.378871D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.544983D+02      0.807582D+01      0.898556D+01
   aniso      0.155092D+02      0.229822D+01      0.255711D+01
   xx         0.600136D+02      0.889309D+01      0.989490D+01
   yx         0.298583D+00      0.442454D-01      0.492297D-01
   yy         0.590340D+02      0.874793D+01      0.973338D+01
   zx        -0.192291D+01     -0.284946D+00     -0.317046D+00
   zy         0.621864D+00      0.921507D-01      0.102532D+00
   zz         0.444475D+02      0.658644D+01      0.732840D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.597021D+02      0.884694D+01      0.984354D+01
   aniso      0.166096D+02      0.246129D+01      0.273855D+01
   xx         0.656795D+02      0.973270D+01      0.108291D+02
   yx         0.177344D+00      0.262797D-01      0.292401D-01
   yy         0.646102D+02      0.957424D+01      0.106528D+02
   zx        -0.161999D+01     -0.240058D+00     -0.267100D+00
   zy         0.383437D+00      0.568194D-01      0.632202D-01
   zz         0.488166D+02      0.723387D+01      0.804876D+01

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.15937944          1.40508785          0.96137003
     6         -0.45369107          0.20777921          0.67238291
     6         -1.07434978         -0.24778926         -2.13047687
     8         -2.29603885         -2.41541495         -2.56178069
     8          2.69255891          1.99848330          3.52867515
     7         -0.80916508         -2.12887249          2.11801430
     8         -0.54750332          1.23109768         -3.77022085
     1         -1.87095801          1.56654239          1.32456829
     1          3.59973026          0.04785117          0.37014690
     1          2.30956209          3.05172650         -0.26887256
     1         -2.44644943         -3.23240563         -0.89658140
     1          0.83420529         -3.11326653          2.21789674
     1         -1.32737517         -1.75133778          3.91802093
     1          1.98526579          3.62921337          3.91567461

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.168312D+01      0.427807D+01      0.142701D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.168312D+01      0.427807D+01      0.142701D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.544983D+02      0.807582D+01      0.898556D+01
   aniso      0.155092D+02      0.229822D+01      0.255711D+01
   xx         0.484574D+02      0.718065D+01      0.798955D+01
   yx         0.629689D+01      0.933103D+00      0.103822D+01
   yy         0.555673D+02      0.823423D+01      0.916182D+01
   zx         0.285343D+01      0.422835D+00      0.470467D+00
   zy        -0.109872D+01     -0.162813D+00     -0.181154D+00
   zz         0.594703D+02      0.881259D+01      0.980532D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.597021D+02      0.884694D+01      0.984354D+01
   aniso      0.166096D+02      0.246129D+01      0.273855D+01
   xx         0.537468D+02      0.796446D+01      0.886166D+01
   yx         0.699298D+01      0.103625D+01      0.115299D+01
   yy         0.605042D+02      0.896580D+01      0.997579D+01
   zx         0.315009D+01      0.466795D+00      0.519379D+00
   zy        -0.134282D+01     -0.198985D+00     -0.221401D+00
   zz         0.648552D+02      0.961055D+01      0.106932D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-35\Freq\RM11\Gen\C3H7N1O3\PIERPA\12-Aug-2021\0\\#P M1
 1/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Guess=R
 ead Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,1.251931,-0.66366
 5,0.331107\C,0.190209,0.204684,-0.343882\C,-1.219712,-0.345036,-0.0685
 08\O,-2.135841,0.604858,0.141712\O,2.566231,-0.22295,0.011296\N,0.2547
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 SIGN SEEN IN A RESTAURANT-
 WE RESERVE THE RIGHT TO SERVE REFUSE TO ANYONE.
 Job cpu time:       0 days  2 hours 33 minutes 21.6 seconds.
 Elapsed time:       0 days  0 hours 19 minutes 12.7 seconds.
 File lengths (MBytes):  RWF=    210 Int=      0 D2E=      0 Chk=      6 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 21:10:53 2021.
